#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k93 n THR 2 N 0.00 0.00 -0.02 6.66 -2.24 -1.26 -3.81 114.28 113.62 2k93 n THR 2 Ca 0.00 0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.85 2k93 n THR 2 Cb 0.00 -0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 67.54 2k93 n THR 2 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2k93 h ILE 3 N -1.19 1.44 -1.17 2.28 5.03 -1.97 -3.31 117.51 118.61 2k93 h ILE 3 Ca -0.04 -2.40 0.43 0.00 -0.12 0.00 0.00 64.86 62.72 2k93 h ILE 3 Cb 1.23 3.05 -0.15 0.00 -3.03 0.00 0.00 36.82 37.92 2k93 h ILE 3 CO 0.03 0.63 0.72 1.21 -0.68 0.00 0.00 178.15 180.05 2k93 n GLU 4 N -4.28 -0.04 -0.20 2.37 0.00 -1.26 0.18 120.64 117.40 2k93 n GLU 4 Ca -0.17 1.24 0.01 0.00 0.00 0.00 0.00 57.16 58.23 2k93 n GLU 4 Cb 0.71 -2.35 0.10 0.00 0.00 0.00 0.00 31.44 29.90 2k93 n GLU 4 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2k93 h GLU 5 N 0.00 0.17 0.00 5.31 4.81 -1.66 0.30 114.58 123.51 2k93 h GLU 5 Ca 0.83 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.97 2k93 h GLU 5 Cb 2.49 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.82 2k93 h GLU 5 CO -0.55 0.11 -0.36 0.00 -0.73 0.00 0.00 179.01 177.48 2k93 h ARG 6 N 0.18 0.00 0.78 1.92 3.08 0.16 -3.16 114.38 117.34 2k93 h ARG 6 Ca 0.31 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 2k93 h ARG 6 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.54 2k93 h ARG 6 CO -0.46 0.36 -0.37 0.28 -1.07 0.00 0.00 179.97 178.70 2k93 h VAL 7 N 0.00 0.00 -0.94 2.04 2.07 0.77 0.13 116.25 120.31 2k93 h VAL 7 Ca -0.00 -0.23 0.24 0.00 0.82 0.00 0.00 66.70 67.53 2k93 h VAL 7 Cb 1.20 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2k93 h VAL 7 CO 0.05 0.00 0.64 0.11 0.02 0.00 0.00 177.57 178.38 2k93 h LYS 8 N -1.27 0.29 0.37 1.57 6.56 -0.68 0.38 116.57 123.78 2k93 h LYS 8 Ca -0.11 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.45 2k93 h LYS 8 Cb 0.80 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 2k93 h LYS 8 CO 0.18 0.19 -0.18 -0.22 -2.06 0.00 0.00 179.45 177.36 2k93 h LYS 9 N 0.29 -0.48 -0.85 3.15 1.63 -1.45 0.10 116.57 118.96 2k93 h LYS 9 Ca 0.49 0.03 0.21 0.00 -0.85 0.00 0.00 60.65 60.53 2k93 h LYS 9 Cb 1.41 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 33.03 2k93 h LYS 9 CO -0.16 -0.32 0.30 0.82 -3.45 0.00 0.00 179.45 176.65 2k93 h ILE 10 N -0.68 0.45 -0.65 2.00 1.08 0.20 1.07 117.51 120.98 2k93 h ILE 10 Ca -0.05 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2k93 h ILE 10 Cb 0.38 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 2k93 h ILE 10 CO 0.08 0.06 0.33 0.40 -0.69 0.00 0.00 178.15 178.33 2k93 h ILE 11 N 0.32 1.21 -0.58 -0.67 5.03 -0.25 0.29 117.51 122.85 2k93 h ILE 11 Ca 0.52 -0.56 0.03 0.00 -0.12 0.00 0.00 64.86 64.73 2k93 h ILE 11 Cb 0.99 0.35 -0.03 0.00 -3.03 0.00 0.00 36.82 35.10 2k93 h ILE 11 CO -0.56 0.24 0.38 1.23 -0.68 0.00 0.00 178.15 178.77 2k93 h GLY 12 N 0.99 0.77 1.31 5.37 0.00 0.38 -2.07 103.07 109.82 2k93 h GLY 12 Ca 0.23 -0.27 -0.29 0.00 0.00 0.00 0.00 47.33 47.00 2k93 h GLY 12 CO -0.03 0.24 -1.48 -1.61 0.00 0.00 0.00 176.54 173.66 2k93 h GLN 13 N 0.69 0.15 -0.28 4.80 4.15 -0.39 0.67 115.11 124.91 2k93 h GLN 13 Ca 0.23 -0.26 0.08 0.00 0.77 0.00 0.00 58.65 59.47 2k93 h GLN 13 Cb 0.06 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2k93 h GLN 13 CO -0.06 0.97 0.49 0.37 -1.93 0.00 0.00 178.83 178.67 2k93 h GLN 14 N 0.04 0.00 0.00 1.69 4.15 0.25 -3.37 115.11 117.86 2k93 h GLN 14 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.21 2k93 h GLN 14 Cb 1.97 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.66 2k93 h GLN 14 CO 0.14 0.00 0.00 1.47 -1.93 0.00 0.00 178.83 178.51 2k93 n LEU 15 N -3.30 0.00 0.00 -2.39 -0.00 -1.12 -4.36 117.00 105.83 2k93 n LEU 15 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 2k93 n LEU 15 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2k93 n LEU 15 CO 0.20 -0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.07 2k93 n GLY 16 N 1.53 -0.05 3.42 1.47 0.00 0.22 -5.07 105.19 106.71 2k93 n GLY 16 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k93 n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k93 n VAL 17 N 0.00 0.00 -0.35 1.61 0.31 -1.16 -5.06 118.33 113.68 2k93 n VAL 17 Ca 0.00 -1.59 0.00 0.00 -0.01 0.00 0.00 64.34 62.74 2k93 n VAL 17 Cb 0.00 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.99 2k93 n VAL 17 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2k93 n LYS 18 N -0.56 3.47 -0.08 5.55 4.81 -1.26 -4.74 118.16 125.34 2k93 n LYS 18 Ca -0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.26 2k93 n LYS 18 Cb 0.58 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.57 2k93 n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2k93 n GLN 19 N 0.00 0.38 0.30 1.64 6.02 -1.26 -4.06 117.38 120.39 2k93 n GLN 19 Ca 0.00 0.14 0.17 0.00 -0.01 0.00 0.00 57.00 57.30 2k93 n GLN 19 Cb 0.00 -1.18 0.92 0.00 1.02 0.00 0.00 30.24 30.99 2k93 n GLN 19 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2k93 h GLU 20 N -0.42 0.00 0.00 -1.09 5.08 -1.97 0.28 114.58 116.46 2k93 h GLU 20 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2k93 h GLU 20 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2k93 h GLU 20 CO -0.20 0.04 -0.64 0.39 -1.00 0.00 0.00 179.01 177.61 2k93 n GLU 21 N -3.48 0.26 -1.88 2.33 1.02 -1.26 -3.89 120.64 113.74 2k93 n GLU 21 Ca -0.02 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 2k93 n GLU 21 Cb 0.16 -1.66 0.07 0.00 -0.02 0.00 0.00 31.44 29.98 2k93 n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k93 n VAL 22 N -2.04 1.80 -1.00 2.62 0.31 0.31 -4.95 118.33 115.38 2k93 n VAL 22 Ca 0.03 -3.26 -0.36 0.00 -0.01 0.00 0.00 64.34 60.74 2k93 n VAL 22 Cb 0.43 -0.03 0.04 0.00 -0.91 0.00 0.00 33.84 33.37 2k93 n VAL 22 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k93 n THR 23 N -0.60 0.00 -1.98 2.52 -2.24 0.70 -4.58 114.28 108.09 2k93 n THR 23 Ca 0.24 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 2k93 n THR 23 Cb 0.89 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 2k93 n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k93 n ASN 24 N 3.44 2.98 0.00 3.42 0.23 -1.26 -1.43 115.26 122.64 2k93 n ASN 24 Ca -0.02 -2.69 0.00 0.00 -0.53 0.00 0.00 54.58 51.34 2k93 n ASN 24 Cb 0.59 -1.70 0.00 0.00 -2.08 0.00 0.00 39.78 36.59 2k93 n ASN 24 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k93 n ASN 25 N 14.10 0.00 -3.56 0.53 4.13 -1.26 -4.55 115.26 124.64 2k93 n ASN 25 Ca 0.45 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.35 2k93 n ASN 25 Cb 0.46 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.69 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k93 n ALA 26 N 0.00 -2.65 -1.82 5.41 0.00 -0.51 -4.36 120.51 116.58 2k93 n ALA 26 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2k93 n ALA 26 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2k93 n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k93 n SER 27 N 1.82 0.00 0.04 0.00 7.64 -1.26 -1.74 113.62 120.12 2k93 n SER 27 Ca 0.11 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2k93 n SER 27 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2k93 n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k93 n PHE 28 N -1.08 -0.52 0.30 1.43 3.01 -1.07 -4.21 117.46 115.32 2k93 n PHE 28 Ca 0.00 0.09 0.16 0.00 1.01 0.00 0.00 57.45 58.71 2k93 n PHE 28 Cb 0.00 0.23 0.55 0.00 -0.01 0.00 0.00 39.48 40.25 2k93 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k93 h VAL 29 N 0.00 0.00 0.00 -4.37 2.07 -1.84 1.82 116.25 113.93 2k93 h VAL 29 Ca 0.00 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 2k93 h VAL 29 Cb 0.31 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2k93 h VAL 29 CO 0.00 0.00 -1.92 -0.62 0.02 0.00 0.00 177.57 175.05 2k93 n GLU 30 N -2.96 0.71 0.00 1.57 1.02 -1.26 -3.72 120.64 116.00 2k93 n GLU 30 Ca 0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2k93 n GLU 30 Cb 0.35 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2k93 n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k93 n ASP 31 N -2.26 0.00 -1.64 1.62 2.03 -1.09 -4.59 116.55 110.63 2k93 n ASP 31 Ca -0.09 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.12 2k93 n ASP 31 Cb 0.62 -0.40 0.14 0.00 -0.72 0.00 0.00 41.12 40.76 2k93 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k93 n LEU 32 N -2.35 4.89 -2.25 -2.67 7.99 0.22 -4.85 117.00 117.98 2k93 n LEU 32 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 56.01 53.44 2k93 n LEU 32 Cb 0.00 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 2k93 n LEU 32 CO 0.00 0.74 0.00 0.61 -1.51 0.00 0.00 177.39 177.23 2k93 n GLY 33 N -0.26 -0.44 3.07 -0.72 0.00 0.51 -1.98 105.19 105.38 2k93 n GLY 33 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 2k93 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k93 n ALA 34 N -2.20 -2.63 -2.55 4.61 0.00 0.46 -4.71 120.51 113.49 2k93 n ALA 34 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.60 2k93 n ALA 34 Cb 0.44 -1.52 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 2k93 n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k93 s ASP 35 N -1.52 6.16 0.01 0.00 -1.08 -0.84 -4.94 116.67 114.46 2k93 s ASP 35 Ca 0.12 0.41 -0.25 0.00 -0.52 0.00 0.00 52.55 52.31 2k93 s ASP 35 Cb -0.02 -1.88 -0.16 0.00 -1.46 0.00 0.00 42.92 39.40 2k93 s ASP 35 CO 0.52 -0.42 1.18 0.28 0.52 0.00 0.00 175.17 177.26 2k93 h SER 36 N 0.64 -0.46 -0.72 -0.34 0.02 -1.93 -1.15 113.55 109.62 2k93 h SER 36 Ca -0.49 -0.12 0.21 0.00 -0.84 0.00 0.00 61.79 60.55 2k93 h SER 36 Cb 1.23 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2k93 h SER 36 CO 0.60 -0.09 0.55 -0.07 -1.14 0.00 0.00 176.83 176.68 2k93 h LEU 37 N -0.88 0.00 0.30 5.07 3.38 -1.96 0.74 115.31 121.96 2k93 h LEU 37 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2k93 h LEU 37 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k93 h LEU 37 CO 0.09 0.00 -0.15 0.44 0.09 0.00 0.00 178.44 178.92 2k93 h ASP 38 N 0.00 -0.34 0.45 -0.43 3.32 -1.68 1.49 116.42 119.22 2k93 h ASP 38 Ca 0.34 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2k93 h ASP 38 Cb 1.44 0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.08 2k93 h ASP 38 CO -0.00 0.11 0.00 0.74 -1.72 0.00 0.00 179.24 178.37 2k93 h THR 39 N -0.93 0.00 0.08 0.35 2.02 0.24 0.03 112.91 114.69 2k93 h THR 39 Ca -0.04 -0.22 -0.31 0.00 0.77 0.00 0.00 66.41 66.61 2k93 h THR 39 Cb 0.51 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2k93 h THR 39 CO 0.07 0.00 -1.66 0.58 0.37 0.00 0.00 175.52 174.88 2k93 h VAL 40 N 0.00 0.78 0.00 3.16 2.07 0.51 -3.26 116.25 119.50 2k93 h VAL 40 Ca 0.00 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.22 2k93 h VAL 40 Cb 0.23 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2k93 h VAL 40 CO 0.00 0.66 -0.07 -0.33 0.02 0.00 0.00 177.57 177.85 2k93 h GLU 41 N -0.37 0.00 0.01 1.57 4.39 0.26 -0.31 114.58 120.13 2k93 h GLU 41 Ca -0.38 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.12 2k93 h GLU 41 Cb 1.74 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.38 2k93 h GLU 41 CO -0.02 0.07 -0.89 1.25 -1.16 0.00 0.00 179.01 178.26 2k93 h LEU 42 N 0.00 0.25 -0.16 1.33 6.46 -1.13 1.05 115.31 123.11 2k93 h LEU 42 Ca -0.00 -0.21 -0.15 0.00 -0.12 0.00 0.00 57.88 57.41 2k93 h LEU 42 Cb 0.27 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2k93 h LEU 42 CO 0.01 1.02 -0.69 0.58 -0.62 0.00 0.00 178.44 178.73 2k93 h VAL 43 N 0.10 1.25 0.12 1.05 2.07 -1.24 -3.06 116.25 116.55 2k93 h VAL 43 Ca -0.05 -2.61 -0.35 0.00 0.82 0.00 0.00 66.70 64.51 2k93 h VAL 43 Cb 1.53 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.80 2k93 h VAL 43 CO 0.14 0.68 -1.89 0.24 0.02 0.00 0.00 177.57 176.75 2k93 h MET 44 N 0.00 0.26 -0.33 1.57 2.86 -1.02 -3.01 114.93 115.27 2k93 h MET 44 Ca -0.01 -0.45 0.07 0.00 -2.06 0.00 0.00 59.70 57.25 2k93 h MET 44 Cb 1.46 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 33.22 2k93 h MET 44 CO 0.09 1.22 -0.14 0.00 1.06 0.00 0.00 176.91 179.14 2k93 h ALA 45 N 0.03 0.13 -0.41 6.32 0.00 0.11 1.26 119.26 126.70 2k93 h ALA 45 Ca -0.40 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2k93 h ALA 45 Cb 1.98 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 2k93 h ALA 45 CO 0.08 -0.52 -0.18 -0.07 0.00 0.00 0.00 179.25 178.56 2k93 h LEU 46 N -0.08 0.79 -0.95 0.00 3.38 -1.70 0.24 115.31 117.00 2k93 h LEU 46 Ca 0.17 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2k93 h LEU 46 Cb 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2k93 h LEU 46 CO -0.38 0.97 0.27 -0.33 0.09 0.00 0.00 178.44 179.06 2k93 h GLU 47 N 0.70 1.03 0.00 1.13 4.39 -0.89 0.61 114.58 121.56 2k93 h GLU 47 Ca 0.10 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k93 h GLU 47 Cb 0.68 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2k93 h GLU 47 CO 0.05 0.85 -0.31 -1.91 -1.16 0.00 0.00 179.01 176.53 2k93 n GLU 48 N -4.29 0.23 -0.00 2.33 2.13 0.42 -1.43 120.64 120.02 2k93 n GLU 48 Ca 0.06 0.12 -0.00 0.00 0.66 0.00 0.00 57.16 58.01 2k93 n GLU 48 Cb 0.18 -1.70 -0.00 0.00 0.27 0.00 0.00 31.44 30.19 2k93 n GLU 48 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k93 h GLU 49 N 0.00 0.00 0.00 5.31 4.81 0.50 -3.44 114.58 121.76 2k93 h GLU 49 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2k93 h GLU 49 Cb 0.70 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 2k93 h GLU 49 CO 0.00 0.00 -0.45 1.19 -0.73 0.00 0.00 179.01 179.02 2k93 n PHE 50 N -2.18 0.00 -3.49 0.92 3.72 0.11 -5.02 117.46 111.52 2k93 n PHE 50 Ca -0.00 -0.57 -0.14 0.00 -0.05 0.00 0.00 57.45 56.69 2k93 n PHE 50 Cb 0.00 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k93 n ASP 51 N -0.48 -6.09 -0.01 4.37 2.03 -0.52 -4.92 116.55 110.94 2k93 n ASP 51 Ca 0.08 -0.60 0.03 0.00 0.52 0.00 0.00 54.79 54.82 2k93 n ASP 51 Cb 0.76 -3.22 -0.05 0.00 -0.72 0.00 0.00 41.12 37.89 2k93 n ASP 51 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2k93 n THR 52 N -2.30 0.05 -3.13 5.18 5.66 -1.16 -4.92 114.28 113.66 2k93 n THR 52 Ca -0.18 -0.17 -0.00 0.00 -3.05 0.00 0.00 64.05 60.64 2k93 n THR 52 Cb 0.61 0.22 -0.00 0.00 -1.55 0.00 0.00 70.33 69.61 2k93 n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k93 n GLU 53 N -1.79 -0.71 -2.68 1.09 0.28 -1.26 -4.86 120.64 110.71 2k93 n GLU 53 Ca -0.02 1.01 -0.41 0.00 -0.16 0.00 0.00 57.16 57.58 2k93 n GLU 53 Cb 0.24 -1.21 -0.05 0.00 1.43 0.00 0.00 31.44 31.85 2k93 n GLU 53 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2k93 s ILE 54 N -0.80 4.19 0.00 3.84 -1.09 -1.25 -5.01 121.20 121.08 2k93 s ILE 54 Ca -0.00 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 2k93 s ILE 54 Cb 0.00 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2k93 s ILE 54 CO 0.05 0.37 0.00 -0.81 -1.23 0.00 0.00 174.94 173.32 2k93 n PRO 55 N 2.22 -0.37 0.04 2.79 -0.04 -1.26 -4.58 135.00 133.80 2k93 n PRO 55 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2k93 n PRO 55 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2k93 n PRO 55 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k93 n ASP 56 N -2.75 0.59 -0.06 3.54 2.03 -1.26 -3.74 116.55 114.91 2k93 n ASP 56 Ca 0.00 -0.09 -0.04 0.00 0.52 0.00 0.00 54.79 55.18 2k93 n ASP 56 Cb 0.00 0.84 -0.03 0.00 -0.72 0.00 0.00 41.12 41.21 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k93 h GLU 57 N 0.00 0.00 0.00 -0.67 4.81 -2.02 -3.30 114.58 113.40 2k93 h GLU 57 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k93 h GLU 57 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2k93 h GLU 57 CO 0.00 0.26 0.06 0.93 -0.73 0.00 0.00 179.01 179.52 2k93 h GLU 58 N -1.00 0.00 -0.43 1.92 4.39 -1.97 -0.78 114.58 116.72 2k93 h GLU 58 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2k93 h GLU 58 Cb 0.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2k93 h GLU 58 CO -0.01 0.00 0.22 0.00 -1.16 0.00 0.00 179.01 178.06 2k93 h ALA 59 N 1.86 0.56 -0.50 3.43 0.00 -1.65 -0.13 119.26 122.83 2k93 h ALA 59 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2k93 h ALA 59 Cb 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2k93 h ALA 59 CO 0.00 0.11 0.20 1.49 0.00 0.00 0.00 179.25 181.05 2k93 h GLU 60 N 0.56 0.38 0.00 0.00 4.57 -1.26 0.95 114.58 119.78 2k93 h GLU 60 Ca 0.15 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2k93 h GLU 60 Cb 0.10 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2k93 h GLU 60 CO -0.02 0.25 0.00 1.17 -1.18 0.00 0.00 179.01 179.23 2k93 n LYS 61 N -4.97 0.73 -1.65 1.92 4.81 -1.00 -2.61 118.16 115.38 2k93 n LYS 61 Ca 0.05 0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.51 2k93 n LYS 61 Cb 0.18 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 33.80 2k93 n LYS 61 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2k93 n ILE 62 N -1.07 1.04 0.17 3.15 5.41 0.16 -4.83 119.36 123.40 2k93 n ILE 62 Ca 0.18 -2.27 -0.08 0.00 1.00 0.00 0.00 62.75 61.58 2k93 n ILE 62 Cb 0.12 0.56 0.06 0.00 -0.71 0.00 0.00 39.64 39.67 2k93 n ILE 62 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k93 n THR 63 N -0.23 1.80 -4.25 1.39 5.66 0.28 -4.81 114.28 114.12 2k93 n THR 63 Ca 0.13 -0.69 -0.12 0.00 -3.05 0.00 0.00 64.05 60.32 2k93 n THR 63 Cb 0.95 -0.88 -0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2k93 n THR 63 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k93 n THR 64 N 0.03 0.00 -0.09 1.09 -2.24 -1.26 -2.59 114.28 109.23 2k93 n THR 64 Ca 0.20 -1.18 -0.16 0.00 -2.27 0.00 0.00 64.05 60.64 2k93 n THR 64 Cb 0.85 0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 69.37 2k93 n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k93 n VAL 65 N -0.45 1.53 0.90 2.28 0.31 -0.71 -4.12 118.33 118.07 2k93 n VAL 65 Ca -0.03 -0.67 0.12 0.00 -0.01 0.00 0.00 64.34 63.75 2k93 n VAL 65 Cb 0.30 -1.23 0.55 0.00 -0.91 0.00 0.00 33.84 32.55 2k93 n VAL 65 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2k93 n GLN 66 N -3.17 0.03 0.07 5.55 -0.06 -1.26 -2.83 117.38 115.71 2k93 n GLN 66 Ca -0.38 0.06 -0.08 0.00 -2.00 0.00 0.00 57.00 54.60 2k93 n GLN 66 Cb 1.04 -1.50 0.04 0.00 -4.06 0.00 0.00 30.24 25.77 2k93 n GLN 66 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2k93 h ALA 67 N 2.90 0.63 -0.08 1.69 0.00 -1.90 -1.53 119.26 120.97 2k93 h ALA 67 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2k93 h ALA 67 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k93 h ALA 67 CO 0.00 0.80 0.00 0.00 0.00 0.00 0.00 179.25 180.05 2k93 n ALA 68 N -2.49 2.54 -0.00 0.00 0.00 -1.13 -1.54 120.51 117.90 2k93 n ALA 68 Ca -0.04 -0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.18 2k93 n ALA 68 Cb 0.72 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 2k93 n ALA 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k93 n ILE 69 N -0.29 0.00 -0.08 0.00 5.41 -0.95 -4.01 119.36 119.44 2k93 n ILE 69 Ca 0.11 -0.13 -0.21 0.00 1.00 0.00 0.00 62.75 63.52 2k93 n ILE 69 Cb 0.14 0.38 -0.12 0.00 -0.71 0.00 0.00 39.64 39.32 2k93 n ILE 69 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2k93 n ASP 70 N -1.69 2.02 0.07 4.38 2.03 -0.62 -2.81 116.55 119.94 2k93 n ASP 70 Ca -0.01 0.12 -0.09 0.00 0.52 0.00 0.00 54.79 55.33 2k93 n ASP 70 Cb 0.14 -0.70 0.03 0.00 -0.72 0.00 0.00 41.12 39.87 2k93 n ASP 70 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2k93 h TYR 71 N -0.22 0.40 0.08 -0.67 3.20 -1.54 -3.17 116.97 115.05 2k93 h TYR 71 Ca -0.51 -0.19 -0.25 0.00 3.14 0.00 0.00 58.73 60.92 2k93 h TYR 71 Cb 1.85 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 40.06 2k93 h TYR 71 CO 0.04 0.96 -1.13 0.82 -1.64 0.00 0.00 178.16 177.20 2k93 h ILE 72 N 0.18 1.54 -1.35 1.81 5.03 -1.75 -3.18 117.51 119.78 2k93 h ILE 72 Ca -0.04 -3.05 0.39 0.00 -0.12 0.00 0.00 64.86 62.05 2k93 h ILE 72 Cb 1.37 2.84 -0.05 0.00 -3.03 0.00 0.00 36.82 37.95 2k93 h ILE 72 CO 0.13 0.89 0.98 -1.13 -0.68 0.00 0.00 178.15 178.33 2k93 h ASN 73 N 0.07 0.00 0.00 1.72 -0.73 -1.49 1.31 115.58 116.47 2k93 h ASN 73 Ca -0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.08 2k93 h ASN 73 Cb 1.85 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.44 2k93 h ASN 73 CO 0.18 0.00 0.23 1.23 -0.37 0.00 0.00 177.43 178.70 2k93 h GLY 74 N 0.00 0.00 1.50 1.57 0.00 -1.65 0.23 103.07 104.72 2k93 h GLY 74 Ca 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.92 2k93 h GLY 74 CO -0.01 0.00 0.05 0.84 0.00 0.00 0.00 176.54 177.43 2k93 h HIS 75 N 0.00 0.65 -1.56 5.60 -0.00 0.15 -3.43 115.15 116.56 2k93 h HIS 75 Ca 0.00 -0.06 -0.71 0.00 -0.00 0.00 0.00 60.37 59.60 2k93 h HIS 75 Cb 0.45 -0.19 0.04 0.00 -0.00 0.00 0.00 27.41 27.72 2k93 h HIS 75 CO 0.00 0.59 0.54 1.04 -0.00 0.00 0.00 177.93 180.10 2k93 n GLN 76 N -4.29 1.01 -0.44 5.26 6.02 0.80 -5.20 117.38 120.54 2k93 n GLN 76 Ca 0.02 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2k93 n GLN 76 Cb 0.23 -2.00 0.00 0.00 1.02 0.00 0.00 30.24 29.49 2k93 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05