#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k92 n THR 2 N 0.00 2.77 -0.01 0.44 -2.24 -1.26 -3.87 114.28 110.12 2k92 n THR 2 Ca 0.00 -1.70 -0.04 0.00 -2.27 0.00 0.00 64.05 60.04 2k92 n THR 2 Cb 0.00 -1.51 -0.01 0.00 -2.10 0.00 0.00 70.33 66.71 2k92 n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k92 n ILE 3 N 0.96 0.48 0.30 2.28 0.00 -1.26 -4.64 119.36 117.48 2k92 n ILE 3 Ca 0.30 0.03 0.18 0.00 0.00 0.00 0.00 62.75 63.27 2k92 n ILE 3 Cb 0.60 -1.60 0.81 0.00 0.00 0.00 0.00 39.64 39.46 2k92 n ILE 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2k92 h GLU 4 N -0.16 0.00 0.00 9.51 4.11 -1.98 -0.62 114.58 125.44 2k92 h GLU 4 Ca -0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 2k92 h GLU 4 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2k92 h GLU 4 CO -0.05 0.00 -0.22 1.05 0.07 0.00 0.00 179.01 179.86 2k92 h GLU 5 N 0.00 0.00 0.00 1.06 4.11 -1.82 -2.72 114.58 115.21 2k92 h GLU 5 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 2k92 h GLU 5 Cb 0.35 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2k92 h GLU 5 CO 0.00 0.22 -2.20 0.54 0.07 0.00 0.00 179.01 177.63 2k92 n ARG 6 N -3.64 1.05 -0.16 1.06 1.74 -0.67 -4.43 116.66 111.61 2k92 n ARG 6 Ca -0.01 -0.02 -0.03 0.00 -0.77 0.00 0.00 57.85 57.02 2k92 n ARG 6 Cb 0.34 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.39 2k92 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k92 h VAL 7 N 0.00 0.83 -0.83 1.55 2.07 -1.01 -0.02 116.25 118.84 2k92 h VAL 7 Ca -0.45 -0.12 0.18 0.00 0.82 0.00 0.00 66.70 67.13 2k92 h VAL 7 Cb 2.02 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 32.13 2k92 h VAL 7 CO 0.02 0.06 0.33 0.11 0.02 0.00 0.00 177.57 178.12 2k92 h LYS 8 N 0.36 0.40 0.51 1.57 6.56 -1.70 0.11 116.57 124.37 2k92 h LYS 8 Ca 0.24 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 2k92 h LYS 8 Cb 0.25 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 2k92 h LYS 8 CO -0.24 0.26 -0.24 -0.22 -2.06 0.00 0.00 179.45 176.95 2k92 h LYS 9 N 0.41 -0.66 -0.74 3.15 3.64 -1.28 1.60 116.57 122.70 2k92 h LYS 9 Ca 0.49 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 60.05 2k92 h LYS 9 Cb 0.84 0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 32.67 2k92 h LYS 9 CO -0.48 -0.38 -0.25 0.82 -2.27 0.00 0.00 179.45 176.89 2k92 h ILE 10 N -0.81 0.19 -0.01 2.00 2.04 0.17 1.17 117.51 122.27 2k92 h ILE 10 Ca -0.07 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 2k92 h ILE 10 Cb 0.58 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2k92 h ILE 10 CO 0.11 0.00 -0.62 0.40 0.00 0.00 0.00 178.15 178.05 2k92 h ILE 11 N -0.05 1.43 0.00 -0.67 1.08 -0.68 1.47 117.51 120.10 2k92 h ILE 11 Ca 0.33 -2.09 -0.00 0.00 -0.39 0.00 0.00 64.86 62.71 2k92 h ILE 11 Cb 0.56 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 36.43 2k92 h ILE 11 CO -0.78 0.60 -0.01 1.23 -0.69 0.00 0.00 178.15 178.50 2k92 h GLY 12 N 1.77 0.00 0.00 5.37 0.00 1.03 -3.07 103.07 108.17 2k92 h GLY 12 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2k92 h GLY 12 CO 0.08 0.00 -0.34 -1.06 0.00 0.00 0.00 176.54 175.22 2k92 n GLN 13 N -3.11 0.18 -0.03 4.80 1.13 0.28 -1.74 117.38 118.90 2k92 n GLN 13 Ca -0.00 0.07 -0.01 0.00 -1.94 0.00 0.00 57.00 55.12 2k92 n GLN 13 Cb 0.26 -0.79 -0.01 0.00 0.11 0.00 0.00 30.24 29.81 2k92 n GLN 13 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2k92 n GLN 14 N -3.74 -0.03 -0.15 -1.09 1.13 0.50 -0.27 117.38 113.74 2k92 n GLN 14 Ca -0.05 0.92 -0.05 0.00 -1.94 0.00 0.00 57.00 55.88 2k92 n GLN 14 Cb 0.18 -1.38 0.04 0.00 0.11 0.00 0.00 30.24 29.18 2k92 n GLN 14 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2k92 h LEU 15 N 0.00 0.32 0.00 1.08 3.38 -1.44 -3.43 115.31 115.22 2k92 h LEU 15 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k92 h LEU 15 Cb 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k92 h LEU 15 CO -0.06 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2k92 n GLY 16 N -1.24 0.14 0.00 0.83 0.00 0.63 -4.73 105.19 100.82 2k92 n GLY 16 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2k92 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k92 n VAL 17 N 0.03 0.00 -1.81 1.61 0.24 -0.71 -4.98 118.33 112.71 2k92 n VAL 17 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 2k92 n VAL 17 Cb 0.00 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 32.55 2k92 n VAL 17 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k92 n LYS 18 N 0.00 -1.14 -1.22 7.34 4.01 -1.26 -4.68 118.16 121.20 2k92 n LYS 18 Ca 0.00 -1.81 -0.13 0.00 -0.51 0.00 0.00 58.31 55.86 2k92 n LYS 18 Cb 0.00 -1.20 0.13 0.00 -0.51 0.00 0.00 35.03 33.45 2k92 n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k92 n GLN 19 N -3.48 2.45 0.00 1.97 10.64 -1.26 -4.46 117.38 123.24 2k92 n GLN 19 Ca 0.15 -3.53 0.00 0.00 -1.83 0.00 0.00 57.00 51.79 2k92 n GLN 19 Cb 0.51 -1.99 0.00 0.00 -0.86 0.00 0.00 30.24 27.90 2k92 n GLN 19 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2k92 n GLU 20 N -0.97 0.00 0.00 2.61 4.07 -1.26 -4.81 120.64 120.28 2k92 n GLU 20 Ca 0.38 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.55 2k92 n GLU 20 Cb 0.93 -0.08 0.32 0.00 -0.06 0.00 0.00 31.44 32.54 2k92 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2k92 n GLU 21 N -2.32 0.11 -2.18 5.31 -0.58 -1.26 -4.35 120.64 115.36 2k92 n GLU 21 Ca 0.00 0.21 -0.34 0.00 -0.42 0.00 0.00 57.16 56.61 2k92 n GLU 21 Cb 0.00 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 2k92 n GLU 21 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k92 n VAL 22 N -1.38 2.58 0.00 2.62 0.31 -1.26 -4.86 118.33 116.34 2k92 n VAL 22 Ca 0.05 -2.66 0.00 0.00 -0.01 0.00 0.00 64.34 61.72 2k92 n VAL 22 Cb 0.13 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 30.82 2k92 n VAL 22 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k92 n THR 23 N 7.23 0.00 0.04 2.52 -2.24 -1.26 -4.98 114.28 115.59 2k92 n THR 23 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2k92 n THR 23 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2k92 n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k92 n ASN 24 N 0.00 0.68 0.04 3.42 6.94 -1.26 -4.69 115.26 120.39 2k92 n ASN 24 Ca 0.00 0.11 0.07 0.00 -0.02 0.00 0.00 54.58 54.73 2k92 n ASN 24 Cb 0.00 -0.19 0.30 0.00 -2.36 0.00 0.00 39.78 37.52 2k92 n ASN 24 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k92 n ASN 25 N -3.16 0.17 -4.50 0.53 5.15 -1.26 -3.33 115.26 108.86 2k92 n ASN 25 Ca 0.00 0.55 -0.44 0.00 -0.60 0.00 0.00 54.58 54.09 2k92 n ASN 25 Cb 0.00 -0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 38.60 2k92 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k92 n ALA 26 N -1.57 1.01 -2.71 5.20 0.00 -1.26 -4.82 120.51 116.36 2k92 n ALA 26 Ca 0.02 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 2k92 n ALA 26 Cb 0.13 -2.75 -0.00 0.00 0.00 0.00 0.00 19.45 16.84 2k92 n ALA 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k92 s SER 27 N 9.02 6.92 0.34 0.00 0.01 -1.26 -3.82 113.70 124.91 2k92 s SER 27 Ca 1.09 -2.63 0.14 0.00 1.31 0.00 0.00 55.95 55.86 2k92 s SER 27 Cb -0.65 -2.52 1.11 0.00 0.21 0.00 0.00 66.02 64.18 2k92 s SER 27 CO 0.41 -1.03 1.54 0.49 0.41 0.00 0.00 173.24 175.06 2k92 n PHE 28 N 7.45 0.95 0.00 2.43 3.01 -1.25 0.12 117.46 130.17 2k92 n PHE 28 Ca 0.45 1.16 0.00 0.00 1.01 0.00 0.00 57.45 60.07 2k92 n PHE 28 Cb 0.45 -1.44 0.00 0.00 -0.01 0.00 0.00 39.48 38.48 2k92 n PHE 28 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 2k92 n VAL 29 N -5.30 0.00 -0.02 -4.37 0.24 -1.26 0.16 118.33 107.78 2k92 n VAL 29 Ca 0.32 0.71 -0.12 0.00 -2.04 0.00 0.00 64.34 63.21 2k92 n VAL 29 Cb 1.08 -1.21 -0.10 0.00 -1.47 0.00 0.00 33.84 32.13 2k92 n VAL 29 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2k92 h GLU 30 N 0.00 -0.05 -0.83 7.34 4.22 -1.78 -2.75 114.58 120.73 2k92 h GLU 30 Ca 0.00 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.52 2k92 h GLU 30 Cb 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 2k92 h GLU 30 CO 0.00 0.60 -0.54 0.22 -2.18 0.00 0.00 179.01 177.11 2k92 h ASP 31 N -0.81 -1.94 0.00 1.04 1.82 0.82 -3.40 116.42 113.95 2k92 h ASP 31 Ca -0.01 0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2k92 h ASP 31 Cb 0.67 0.85 0.00 0.00 0.68 0.00 0.00 39.33 41.54 2k92 h ASP 31 CO 0.01 -0.23 0.00 0.18 -1.61 0.00 0.00 179.24 177.59 2k92 n LEU 32 N -5.07 0.00 0.00 2.28 4.77 0.14 -4.96 117.00 114.16 2k92 n LEU 32 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k92 n LEU 32 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2k92 n LEU 32 CO -0.12 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 2k92 n GLY 33 N 4.21 -1.40 2.28 -0.72 0.00 0.42 -4.87 105.19 105.10 2k92 n GLY 33 Ca 0.00 0.96 -0.21 0.00 0.00 0.00 0.00 46.02 46.77 2k92 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k92 n ALA 34 N 0.00 6.43 -1.60 4.61 0.00 -1.21 -4.36 120.51 124.38 2k92 n ALA 34 Ca 0.00 -2.54 -0.22 0.00 0.00 0.00 0.00 53.44 50.68 2k92 n ALA 34 Cb 0.00 -2.23 0.10 0.00 0.00 0.00 0.00 19.45 17.32 2k92 n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k92 n ASP 35 N 1.59 5.03 -3.23 0.00 5.75 -1.26 -4.58 116.55 119.85 2k92 n ASP 35 Ca 0.47 -3.77 0.04 0.00 -0.01 0.00 0.00 54.79 51.51 2k92 n ASP 35 Cb 0.70 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 2k92 n ASP 35 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2k92 s SER 36 N -2.62 -0.27 -1.74 -1.12 0.01 -1.26 -4.95 113.70 101.76 2k92 s SER 36 Ca 0.54 0.30 -0.18 0.00 1.31 0.00 0.00 55.95 57.93 2k92 s SER 36 Cb 0.45 1.28 0.18 0.00 0.21 0.00 0.00 66.02 68.13 2k92 s SER 36 CO 0.02 -0.05 0.45 0.00 0.41 0.00 0.00 173.24 174.06 2k92 n LEU 37 N 4.92 -0.82 0.00 2.44 -0.00 -1.26 -4.63 117.00 117.64 2k92 n LEU 37 Ca -0.08 -1.21 0.00 0.00 -0.00 0.00 0.00 56.01 54.73 2k92 n LEU 37 Cb 0.54 -1.53 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 2k92 n LEU 37 CO -0.07 0.18 0.00 -0.90 -0.00 0.00 0.00 177.39 176.60 2k92 n ASP 38 N -2.43 0.00 0.08 1.45 5.75 -1.26 -3.01 116.55 117.13 2k92 n ASP 38 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.67 2k92 n ASP 38 Cb 0.49 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 2k92 n ASP 38 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2k92 h THR 39 N 0.00 0.97 0.00 2.12 1.35 -1.89 -2.06 112.91 113.41 2k92 h THR 39 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2k92 h THR 39 Cb 0.00 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2k92 h THR 39 CO 0.00 0.17 0.00 0.52 -0.25 0.00 0.00 175.52 175.96 2k92 n VAL 40 N -5.02 0.00 -0.25 6.82 0.31 -1.26 0.80 118.33 119.74 2k92 n VAL 40 Ca -0.09 0.95 -0.02 0.00 -0.01 0.00 0.00 64.34 65.17 2k92 n VAL 40 Cb 0.24 -1.41 0.04 0.00 -0.91 0.00 0.00 33.84 31.80 2k92 n VAL 40 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2k92 h GLU 41 N 0.00 -0.08 -0.97 5.55 4.57 -1.70 0.71 114.58 122.66 2k92 h GLU 41 Ca 0.00 0.01 0.31 0.00 -1.18 0.00 0.00 59.36 58.50 2k92 h GLU 41 Cb 0.00 0.02 -0.16 0.00 -0.16 0.00 0.00 28.75 28.45 2k92 h GLU 41 CO 0.00 -0.06 0.39 1.25 -1.18 0.00 0.00 179.01 179.42 2k92 h LEU 42 N -0.09 0.18 0.33 1.64 6.46 -0.34 0.23 115.31 123.72 2k92 h LEU 42 Ca 0.29 0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 58.27 2k92 h LEU 42 Cb 0.56 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 2k92 h LEU 42 CO -0.76 -0.25 -0.39 0.58 -0.62 0.00 0.00 178.44 177.01 2k92 h VAL 43 N 0.17 0.00 -0.41 1.05 2.07 0.68 0.88 116.25 120.69 2k92 h VAL 43 Ca 0.69 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.29 2k92 h VAL 43 Cb 1.59 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 2k92 h VAL 43 CO -0.71 0.00 -0.34 0.24 0.02 0.00 0.00 177.57 176.78 2k92 h MET 44 N -0.73 -0.25 0.25 1.57 2.86 -0.44 2.00 114.93 120.19 2k92 h MET 44 Ca -0.04 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2k92 h MET 44 Cb 0.65 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2k92 h MET 44 CO -0.08 -0.17 -0.22 0.00 1.06 0.00 0.00 176.91 177.50 2k92 h ALA 45 N 0.72 -0.96 -0.04 6.32 0.00 -0.83 1.50 119.26 125.98 2k92 h ALA 45 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k92 h ALA 45 Cb 0.55 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k92 h ALA 45 CO -0.55 -0.96 0.31 -0.07 0.00 0.00 0.00 179.25 177.98 2k92 h LEU 46 N -0.46 0.00 0.00 0.00 3.38 0.12 0.43 115.31 118.77 2k92 h LEU 46 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2k92 h LEU 46 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2k92 h LEU 46 CO -0.01 0.00 -0.08 -0.33 0.09 0.00 0.00 178.44 178.11 2k92 h GLU 47 N 0.00 0.00 -0.82 1.13 5.08 0.51 -2.38 114.58 118.10 2k92 h GLU 47 Ca 0.02 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.56 2k92 h GLU 47 Cb 0.64 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2k92 h GLU 47 CO -0.00 0.95 0.55 0.93 -1.00 0.00 0.00 179.01 180.44 2k92 h GLU 48 N -1.00 0.38 0.00 2.33 4.39 0.42 1.22 114.58 122.32 2k92 h GLU 48 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k92 h GLU 48 Cb 0.97 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2k92 h GLU 48 CO -0.01 0.25 0.00 -1.91 -1.16 0.00 0.00 179.01 176.18 2k92 n GLU 49 N -4.48 0.00 -0.08 2.33 4.07 -0.70 -4.70 120.64 117.08 2k92 n GLU 49 Ca 0.17 0.24 -0.15 0.00 -0.06 0.00 0.00 57.16 57.35 2k92 n GLU 49 Cb 0.62 -0.84 -0.10 0.00 -0.06 0.00 0.00 31.44 31.05 2k92 n GLU 49 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 2k92 h PHE 50 N 0.00 0.00 -2.36 4.31 -1.00 -1.37 -3.50 116.94 113.02 2k92 h PHE 50 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2k92 h PHE 50 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2k92 h PHE 50 CO 0.02 1.05 0.00 -3.47 -1.61 0.00 0.00 178.31 174.30 2k92 n ASP 51 N -4.55 -1.57 0.00 2.17 -0.08 0.42 -4.98 116.55 107.96 2k92 n ASP 51 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2k92 n ASP 51 Cb 0.51 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 43.19 2k92 n ASP 51 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2k92 n THR 52 N -0.55 0.22 -3.58 5.18 5.66 -1.26 -5.01 114.28 114.94 2k92 n THR 52 Ca 0.00 -0.22 -0.32 0.00 -3.05 0.00 0.00 64.05 60.46 2k92 n THR 52 Cb 0.16 0.90 0.02 0.00 -1.55 0.00 0.00 70.33 69.86 2k92 n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k92 n GLU 53 N -0.11 -1.68 -1.83 1.09 0.28 -1.26 -4.71 120.64 112.42 2k92 n GLU 53 Ca 0.00 1.06 -0.43 0.00 -0.16 0.00 0.00 57.16 57.63 2k92 n GLU 53 Cb 0.44 -2.01 -0.03 0.00 1.43 0.00 0.00 31.44 31.28 2k92 n GLU 53 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2k92 s ILE 54 N -2.12 3.29 0.37 3.84 1.10 -1.26 -4.95 121.20 121.47 2k92 s ILE 54 Ca 0.20 0.31 -0.25 0.00 -0.51 0.00 0.00 60.65 60.39 2k92 s ILE 54 Cb -0.02 -3.35 -0.09 0.00 0.15 0.00 0.00 42.46 39.15 2k92 s ILE 54 CO 0.85 -0.19 1.06 -2.16 -2.11 0.00 0.00 174.94 172.39 2k92 s PRO 55 N 5.63 4.27 0.43 3.50 0.04 -1.26 -4.77 135.00 142.83 2k92 s PRO 55 Ca 0.87 1.58 0.16 0.00 0.04 0.00 0.00 61.00 63.65 2k92 s PRO 55 Cb -0.29 -2.69 1.05 0.00 0.04 0.00 0.00 34.50 32.61 2k92 s PRO 55 CO 0.34 -0.06 1.92 0.22 0.04 0.00 0.00 177.00 179.46 2k92 h ASP 56 N 2.81 0.39 -0.57 6.66 3.58 -1.92 1.00 116.42 128.37 2k92 h ASP 56 Ca -0.48 0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.12 2k92 h ASP 56 Cb 1.21 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 2k92 h ASP 56 CO 0.63 0.20 0.39 1.05 -2.88 0.00 0.00 179.24 178.64 2k92 h GLU 57 N 0.41 0.21 -0.01 0.28 4.11 -1.99 1.32 114.58 118.92 2k92 h GLU 57 Ca 0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.79 2k92 h GLU 57 Cb 0.87 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k92 h GLU 57 CO -0.12 0.14 -0.32 0.39 0.07 0.00 0.00 179.01 179.17 2k92 n GLU 58 N -4.44 2.30 -0.11 1.06 1.02 0.12 -4.30 120.64 116.30 2k92 n GLU 58 Ca 0.10 -0.50 0.08 0.00 -0.02 0.00 0.00 57.16 56.83 2k92 n GLU 58 Cb 0.49 -1.11 0.14 0.00 -0.02 0.00 0.00 31.44 30.93 2k92 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k92 n ALA 59 N -0.48 2.38 -0.10 0.62 0.00 0.30 -4.30 120.51 118.92 2k92 n ALA 59 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.47 2k92 n ALA 59 Cb 0.23 -0.59 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 2k92 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k92 n GLU 60 N 0.95 0.79 0.00 0.00 2.13 0.43 -4.21 120.64 120.73 2k92 n GLU 60 Ca 0.13 0.07 0.13 0.00 0.66 0.00 0.00 57.16 58.15 2k92 n GLU 60 Cb 0.45 -1.47 0.77 0.00 0.27 0.00 0.00 31.44 31.46 2k92 n GLU 60 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2k92 n LYS 61 N -2.95 0.99 -0.03 5.31 2.85 -1.26 -3.50 118.16 119.56 2k92 n LYS 61 Ca -0.36 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 56.83 2k92 n LYS 61 Cb 1.01 -1.41 -0.06 0.00 -0.65 0.00 0.00 35.03 33.92 2k92 n LYS 61 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 2k92 h ILE 62 N 0.00 0.76 -2.22 0.58 3.07 -1.75 -3.46 117.51 114.49 2k92 h ILE 62 Ca 0.00 -1.48 -0.15 0.00 1.55 0.00 0.00 64.86 64.78 2k92 h ILE 62 Cb 0.00 1.42 -0.05 0.00 -0.27 0.00 0.00 36.82 37.92 2k92 h ILE 62 CO 0.00 0.25 -0.15 0.35 -1.05 0.00 0.00 178.15 177.55 2k92 n THR 63 N -4.76 -0.07 -3.88 0.16 -2.24 -1.23 -4.77 114.28 97.49 2k92 n THR 63 Ca -0.05 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 2k92 n THR 63 Cb 0.22 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 2k92 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2k92 s THR 64 N -1.78 0.00 -0.08 4.28 -4.23 -1.26 -3.89 115.64 108.68 2k92 s THR 64 Ca 0.00 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2k92 s THR 64 Cb 0.00 -2.29 -0.25 0.00 1.34 0.00 0.00 72.50 71.30 2k92 s THR 64 CO 0.00 0.00 0.54 0.58 -0.54 0.00 0.00 174.62 175.20 2k92 h VAL 65 N 2.05 0.77 0.21 2.29 2.07 -1.66 -3.37 116.25 118.61 2k92 h VAL 65 Ca -0.24 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.75 2k92 h VAL 65 Cb 1.25 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2k92 h VAL 65 CO 0.30 0.74 -0.18 -0.61 0.02 0.00 0.00 177.57 177.84 2k92 h GLN 66 N 0.05 -0.40 -1.00 1.57 5.75 -1.86 -2.66 115.11 116.56 2k92 h GLN 66 Ca -0.35 0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.32 2k92 h GLN 66 Cb 2.03 0.09 -0.16 0.00 1.07 0.00 0.00 27.48 30.51 2k92 h GLN 66 CO 0.09 -0.26 -0.41 0.00 -2.65 0.00 0.00 178.83 175.60 2k92 n ALA 67 N -2.40 -0.19 -0.29 3.38 0.00 -1.26 0.21 120.51 119.96 2k92 n ALA 67 Ca -0.08 0.97 0.12 0.00 0.00 0.00 0.00 53.44 54.45 2k92 n ALA 67 Cb 0.22 -0.41 0.27 0.00 0.00 0.00 0.00 19.45 19.54 2k92 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k92 h ALA 68 N 1.27 1.24 0.49 0.00 0.00 -1.64 0.90 119.26 121.51 2k92 h ALA 68 Ca 0.32 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 2k92 h ALA 68 Cb 0.57 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k92 h ALA 68 CO -0.98 -0.44 -0.23 0.82 0.00 0.00 0.00 179.25 178.41 2k92 h ILE 69 N 0.23 0.00 -0.90 0.00 2.04 0.25 0.20 117.51 119.33 2k92 h ILE 69 Ca 0.53 -0.41 0.26 0.00 1.00 0.00 0.00 64.86 66.24 2k92 h ILE 69 Cb 1.05 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2k92 h ILE 69 CO -0.63 0.00 0.91 0.44 0.00 0.00 0.00 178.15 178.86 2k92 h ASP 70 N -1.06 0.00 0.05 1.72 5.19 0.12 0.61 116.42 123.04 2k92 h ASP 70 Ca -0.07 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.20 2k92 h ASP 70 Cb 0.50 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 2k92 h ASP 70 CO 0.11 0.00 -0.72 0.22 -3.12 0.00 0.00 179.24 175.73 2k92 h TYR 71 N 0.00 0.19 -0.06 4.55 3.20 1.00 -1.17 116.97 124.67 2k92 h TYR 71 Ca 0.43 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 62.17 2k92 h TYR 71 Cb 2.23 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 40.49 2k92 h TYR 71 CO 0.00 1.28 0.11 0.82 -1.64 0.00 0.00 178.16 178.73 2k92 h ILE 72 N -0.74 0.30 0.00 1.81 1.08 0.33 -1.23 117.51 119.06 2k92 h ILE 72 Ca -0.17 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.13 2k92 h ILE 72 Cb 1.34 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 2k92 h ILE 72 CO -0.01 0.00 -1.02 0.78 -0.69 0.00 0.00 178.15 177.21 2k92 h ASN 73 N 0.00 0.00 -0.69 1.72 2.35 -0.82 -3.33 115.58 114.81 2k92 h ASN 73 Ca 0.03 -0.49 0.20 0.00 -0.55 0.00 0.00 56.30 55.50 2k92 h ASN 73 Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2k92 h ASN 73 CO -0.00 1.34 0.73 1.23 -1.65 0.00 0.00 177.43 179.07 2k92 h GLY 74 N -1.00 0.00 0.19 2.83 0.00 -0.50 -1.29 103.07 103.30 2k92 h GLY 74 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2k92 h GLY 74 CO -0.16 0.00 -0.09 0.84 0.00 0.00 0.00 176.54 177.13 2k92 h HIS 75 N 0.00 -0.24 -3.34 5.60 2.76 -1.38 -3.38 115.15 115.16 2k92 h HIS 75 Ca 0.33 -0.01 -0.71 0.00 -2.20 0.00 0.00 60.37 57.78 2k92 h HIS 75 Cb 1.78 0.08 -0.35 0.00 1.55 0.00 0.00 27.41 30.46 2k92 h HIS 75 CO 0.00 -0.15 -0.09 -0.65 -1.30 0.00 0.00 177.93 175.74 2k92 s GLN 76 N -2.76 3.27 0.00 5.26 1.11 -0.53 -5.14 119.66 120.87 2k92 s GLN 76 Ca -0.04 -3.23 0.12 0.00 0.01 0.00 0.00 55.36 52.22 2k92 s GLN 76 Cb 0.00 -3.97 0.73 0.00 -1.01 0.00 0.00 33.01 28.77 2k92 s GLN 76 CO 0.11 -1.26 1.16 0.00 0.01 0.00 0.00 175.29 175.32