#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k93 s THR 2 N 0.00 5.17 0.12 2.46 -4.23 -1.26 -5.01 115.64 112.90 2k93 s THR 2 Ca 0.00 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2k93 s THR 2 Cb 0.00 -3.82 -0.21 0.00 1.34 0.00 0.00 72.50 69.80 2k93 s THR 2 CO 0.00 -0.38 1.27 0.40 -0.54 0.00 0.00 174.62 175.37 2k93 h ILE 3 N 1.10 1.58 -0.93 2.99 5.03 -1.94 -3.30 117.51 122.04 2k93 h ILE 3 Ca -0.50 -3.04 0.18 0.00 -0.12 0.00 0.00 64.86 61.38 2k93 h ILE 3 Cb 1.21 2.75 -0.17 0.00 -3.03 0.00 0.00 36.82 37.58 2k93 h ILE 3 CO 0.63 0.88 -0.24 1.21 -0.68 0.00 0.00 178.15 179.95 2k93 n GLU 4 N -3.51 -0.09 -0.35 2.37 0.00 -1.26 0.57 120.64 118.36 2k93 n GLU 4 Ca -0.04 1.44 -0.03 0.00 0.00 0.00 0.00 57.16 58.53 2k93 n GLU 4 Cb 0.92 -2.15 0.01 0.00 0.00 0.00 0.00 31.44 30.22 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 -0.04 -0.47 5.31 4.81 -2.00 0.53 114.58 122.72 2k93 h GLU 5 Ca 0.44 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.56 2k93 h GLU 5 Cb 0.67 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2k93 h GLU 5 CO -0.95 -0.03 -0.13 0.00 -0.73 0.00 0.00 179.01 177.17 2k93 h ARG 6 N -0.04 0.92 -0.09 1.92 3.08 -0.10 -2.89 114.38 117.18 2k93 h ARG 6 Ca 0.30 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2k93 h ARG 6 Cb 0.57 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 2k93 h ARG 6 CO -0.92 1.02 -0.54 0.28 -1.07 0.00 0.00 179.97 178.74 2k93 h VAL 7 N 0.77 0.01 -0.85 2.04 2.07 0.21 0.31 116.25 120.80 2k93 h VAL 7 Ca 0.12 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.83 2k93 h VAL 7 Cb 0.69 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 30.35 2k93 h VAL 7 CO 0.05 0.00 0.34 0.11 0.02 0.00 0.00 177.57 178.09 2k93 h LYS 8 N -0.61 0.37 0.38 1.57 1.79 -0.39 1.34 116.57 121.02 2k93 h LYS 8 Ca 0.03 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2k93 h LYS 8 Cb 0.70 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2k93 h LYS 8 CO -0.41 0.25 -0.28 -0.22 -1.08 0.00 0.00 179.45 177.71 2k93 h LYS 9 N 0.39 -0.61 -0.35 3.15 1.63 -0.61 0.12 116.57 120.28 2k93 h LYS 9 Ca 0.51 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 60.42 2k93 h LYS 9 Cb 0.93 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 32.63 2k93 h LYS 9 CO -0.51 -0.41 -0.05 0.82 -3.45 0.00 0.00 179.45 175.85 2k93 h ILE 10 N -0.64 0.68 -0.80 2.00 1.08 0.54 -1.00 117.51 119.36 2k93 h ILE 10 Ca -0.05 -0.01 0.16 0.00 -0.39 0.00 0.00 64.86 64.56 2k93 h ILE 10 Cb 0.53 0.64 -0.15 0.00 -3.07 0.00 0.00 36.82 34.77 2k93 h ILE 10 CO 0.02 0.01 -0.22 0.40 -0.69 0.00 0.00 178.15 177.66 2k93 h ILE 11 N 0.04 0.18 -0.89 -0.67 1.08 0.19 1.48 117.51 118.92 2k93 h ILE 11 Ca 0.17 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.83 2k93 h ILE 11 Cb 0.25 0.18 -0.07 0.00 -3.07 0.00 0.00 36.82 34.11 2k93 h ILE 11 CO -0.33 0.00 0.58 1.23 -0.69 0.00 0.00 178.15 178.94 2k93 h GLY 12 N -0.01 0.92 1.14 5.37 0.00 0.41 0.16 103.07 111.06 2k93 h GLY 12 Ca 0.38 -0.20 -0.26 0.00 0.00 0.00 0.00 47.33 47.24 2k93 h GLY 12 CO -0.83 0.01 -1.07 -1.61 0.00 0.00 0.00 176.54 173.04 2k93 h GLN 13 N 0.45 0.62 -0.10 4.80 4.15 0.21 0.54 115.11 125.78 2k93 h GLN 13 Ca 0.46 -0.75 0.03 0.00 0.77 0.00 0.00 58.65 59.16 2k93 h GLN 13 Cb 1.07 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 2k93 h GLN 13 CO -0.18 1.32 0.44 1.96 -1.93 0.00 0.00 178.83 180.44 2k93 h GLN 14 N 0.26 0.00 0.00 1.69 4.20 0.17 -3.38 115.11 118.04 2k93 h GLN 14 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2k93 h GLN 14 Cb 1.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.52 2k93 h GLN 14 CO 0.21 0.00 0.00 1.47 -0.67 0.00 0.00 178.83 179.84 2k93 n LEU 15 N -3.01 0.00 0.00 1.46 -0.00 -1.01 -4.21 117.00 110.23 2k93 n LEU 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2k93 n LEU 15 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2k93 n LEU 15 CO 0.15 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.15 2k93 n GLY 16 N 0.51 0.64 2.92 1.47 0.00 0.19 -5.04 105.19 105.88 2k93 n GLY 16 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 1.61 0.31 -1.26 -5.08 118.33 113.91 2k93 n VAL 17 Ca 0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 64.34 62.89 2k93 n VAL 17 Cb 0.00 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 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 -0.49 3.25 -0.08 5.55 4.81 -1.26 -4.90 118.16 125.05 2k93 n LYS 18 Ca -0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2k93 n LYS 18 Cb 0.50 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 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 0.36 0.16 1.64 6.02 -1.26 -4.00 117.38 120.29 2k93 n GLN 19 Ca 0.00 0.13 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 2k93 n GLN 19 Cb 0.00 -1.16 0.56 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.37 0.00 0.00 -1.09 5.08 -1.98 0.44 114.58 116.66 2k93 h GLU 20 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2k93 h GLU 20 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2k93 h GLU 20 CO -0.18 0.00 -1.27 0.39 -1.00 0.00 0.00 179.01 176.95 2k93 n GLU 21 N -2.30 0.25 -1.54 2.33 1.02 -1.26 -4.22 120.64 114.92 2k93 n GLU 21 Ca 0.00 -0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.02 2k93 n GLU 21 Cb 0.15 -1.53 0.09 0.00 -0.02 0.00 0.00 31.44 30.13 2k93 n GLU 21 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2k93 n VAL 22 N -1.82 1.94 0.00 2.62 3.14 -0.05 -4.87 118.33 119.29 2k93 n VAL 22 Ca 0.01 -3.30 0.00 0.00 -2.96 0.00 0.00 64.34 58.09 2k93 n VAL 22 Cb 0.42 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 2k93 n VAL 22 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2k93 n THR 23 N -0.70 0.00 -0.06 1.55 -2.24 -0.08 -4.70 114.28 108.06 2k93 n THR 23 Ca 0.25 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.88 2k93 n THR 23 Cb 0.87 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 2k93 n THR 23 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2k93 h ASN 24 N -1.58 0.88 0.53 3.42 2.35 -1.95 -2.55 115.58 116.67 2k93 h ASN 24 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 2k93 h ASN 24 Cb 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.12 2k93 h ASN 24 CO 0.00 1.29 0.00 -0.46 -1.65 0.00 0.00 177.43 176.61 2k93 n ASN 25 N -4.06 0.00 -4.70 5.81 0.23 -1.26 -2.72 115.26 108.56 2k93 n ASN 25 Ca -0.06 0.37 -0.42 0.00 -0.53 0.00 0.00 54.58 53.94 2k93 n ASN 25 Cb 0.64 -0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 37.87 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k93 s ALA 26 N -2.88 3.80 0.23 -2.53 0.00 -0.96 -4.88 121.76 114.55 2k93 s ALA 26 Ca 0.11 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.58 2k93 s ALA 26 Cb 0.12 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.50 2k93 s ALA 26 CO 0.31 -1.18 0.15 0.43 0.00 0.00 0.00 175.76 175.46 2k93 n SER 27 N 5.39 1.88 -0.08 0.00 7.64 -1.26 -2.23 113.62 124.96 2k93 n SER 27 Ca 0.18 -1.84 -0.17 0.00 1.01 0.00 0.00 58.87 58.04 2k93 n SER 27 Cb 0.37 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.98 0.00 0.26 1.43 3.72 -0.91 -3.85 117.46 117.13 2k93 n PHE 28 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 2k93 n PHE 28 Cb 0.27 -0.59 0.29 0.00 -0.94 0.00 0.00 39.48 38.51 2k93 n PHE 28 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2k93 h VAL 29 N -0.64 0.00 -0.00 -4.37 2.07 -1.83 1.91 116.25 113.39 2k93 h VAL 29 Ca -0.38 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2k93 h VAL 29 Cb 1.28 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2k93 h VAL 29 CO -0.23 0.00 -0.68 -0.62 0.02 0.00 0.00 177.57 176.06 2k93 n GLU 30 N -3.03 0.02 0.00 1.57 1.02 -1.26 -3.51 120.64 115.46 2k93 n GLU 30 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2k93 n GLU 30 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.47 0.00 -1.37 1.62 2.03 -1.09 -4.79 116.55 111.48 2k93 n ASP 31 Ca 0.05 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.32 2k93 n ASP 31 Cb 0.33 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.87 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 -2.22 4.01 -2.18 -2.67 4.77 0.35 -4.84 117.00 114.22 2k93 n LEU 32 Ca 0.00 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 2k93 n LEU 32 Cb 0.00 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2k93 n LEU 32 CO 0.00 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2k93 n GLY 33 N 0.01 -0.42 1.95 -0.72 0.00 0.56 -3.45 105.19 103.13 2k93 n GLY 33 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.10 -2.14 -2.41 4.61 0.00 0.26 -4.66 120.51 114.07 2k93 n ALA 34 Ca 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 2k93 n ALA 34 Cb 0.42 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.47 3.03 0.01 0.00 -1.08 -1.22 -4.93 116.67 112.00 2k93 s ASP 35 Ca 0.00 -1.00 -0.25 0.00 -0.52 0.00 0.00 52.55 50.78 2k93 s ASP 35 Cb 0.00 -0.21 -0.17 0.00 -1.46 0.00 0.00 42.92 41.08 2k93 s ASP 35 CO 0.00 -0.06 1.28 0.28 0.52 0.00 0.00 175.17 177.19 2k93 h SER 36 N 2.54 -0.32 -0.11 -0.34 0.02 -1.96 0.05 113.55 113.42 2k93 h SER 36 Ca -0.40 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.41 2k93 h SER 36 Cb 1.23 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 2k93 h SER 36 CO 0.59 0.03 0.18 -0.07 -1.14 0.00 0.00 176.83 176.42 2k93 h LEU 37 N -0.70 0.00 0.13 5.07 3.38 -1.97 0.63 115.31 121.86 2k93 h LEU 37 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2k93 h LEU 37 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k93 h LEU 37 CO 0.06 0.00 -0.06 0.44 0.09 0.00 0.00 178.44 178.97 2k93 h ASP 38 N 0.00 -0.15 0.32 -0.43 5.19 -1.62 0.51 116.42 120.25 2k93 h ASP 38 Ca 0.05 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 2k93 h ASP 38 Cb 0.42 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 2k93 h ASP 38 CO -0.00 0.44 -0.05 0.74 -3.12 0.00 0.00 179.24 177.24 2k93 h THR 39 N -0.98 0.31 0.13 0.35 2.02 -0.03 -0.86 112.91 113.84 2k93 h THR 39 Ca -0.02 -0.31 -0.30 0.00 0.77 0.00 0.00 66.41 66.55 2k93 h THR 39 Cb 0.40 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2k93 h THR 39 CO 0.03 0.05 -1.55 0.58 0.37 0.00 0.00 175.52 175.00 2k93 h VAL 40 N 0.00 0.95 0.00 3.16 2.07 0.20 -3.26 116.25 119.37 2k93 h VAL 40 Ca -0.00 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 2k93 h VAL 40 Cb 0.23 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2k93 h VAL 40 CO 0.01 0.74 -0.04 -0.33 0.02 0.00 0.00 177.57 177.97 2k93 h GLU 41 N -0.20 0.00 -0.01 1.57 4.39 0.59 0.33 114.58 121.24 2k93 h GLU 41 Ca -0.33 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.18 2k93 h GLU 41 Cb 1.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.48 2k93 h GLU 41 CO 0.07 0.04 -0.82 1.25 -1.16 0.00 0.00 179.01 178.39 2k93 h LEU 42 N 0.00 0.27 -0.01 1.33 6.46 -1.27 1.39 115.31 123.48 2k93 h LEU 42 Ca -0.00 -0.20 -0.11 0.00 -0.12 0.00 0.00 57.88 57.44 2k93 h LEU 42 Cb 0.14 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 2k93 h LEU 42 CO 0.01 0.98 -0.53 0.58 -0.62 0.00 0.00 178.44 178.85 2k93 h VAL 43 N 0.13 0.92 0.08 1.05 2.07 -1.08 -2.47 116.25 116.95 2k93 h VAL 43 Ca -0.04 -2.29 -0.36 0.00 0.82 0.00 0.00 66.70 64.83 2k93 h VAL 43 Cb 1.43 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 2k93 h VAL 43 CO 0.13 0.52 -2.03 0.23 0.02 0.00 0.00 177.57 176.44 2k93 n MET 44 N -3.24 0.72 -0.04 1.57 2.81 -0.08 -3.01 117.12 115.86 2k93 n MET 44 Ca 0.02 0.24 -0.11 0.00 -1.81 0.00 0.00 57.70 56.04 2k93 n MET 44 Cb 0.75 -1.69 -0.06 0.00 -0.71 0.00 0.00 33.22 31.51 2k93 n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k93 h ALA 45 N 0.26 0.19 0.00 3.04 0.00 0.18 0.87 119.26 123.80 2k93 h ALA 45 Ca -0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2k93 h ALA 45 Cb 2.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2k93 h ALA 45 CO 0.06 -0.19 -0.16 -0.07 0.00 0.00 0.00 179.25 178.89 2k93 h LEU 46 N 0.04 0.00 0.02 0.00 3.38 -1.62 -1.76 115.31 115.37 2k93 h LEU 46 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k93 h LEU 46 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k93 h LEU 46 CO -0.00 0.16 -0.01 -0.33 0.09 0.00 0.00 178.44 178.35 2k93 h GLU 47 N 0.00 -0.02 0.00 1.13 5.08 -1.29 -2.71 114.58 116.76 2k93 h GLU 47 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k93 h GLU 47 Cb 0.57 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2k93 h GLU 47 CO 0.02 0.63 0.00 -1.91 -1.00 0.00 0.00 179.01 176.75 2k93 n GLU 48 N -4.70 0.09 0.00 2.33 2.13 0.30 0.22 120.64 121.01 2k93 n GLU 48 Ca -0.07 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2k93 n GLU 48 Cb 0.32 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.28 2k93 n GLU 48 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k93 n GLU 49 N -1.93 0.00 0.00 5.31 0.00 -0.67 -4.75 120.64 118.60 2k93 n GLU 49 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.51 2k93 n GLU 49 Cb 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 31.44 30.69 2k93 n GLU 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2k93 n PHE 50 N -1.85 0.00 -2.61 4.31 3.72 -1.04 -5.06 117.46 114.93 2k93 n PHE 50 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2k93 n PHE 50 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.27 -7.12 0.00 4.37 4.64 0.60 -5.00 116.55 113.77 2k93 n ASP 51 Ca 0.00 0.77 0.00 0.00 -1.38 0.00 0.00 54.79 54.18 2k93 n ASP 51 Cb 0.01 -4.74 0.00 0.00 -1.04 0.00 0.00 41.12 35.35 2k93 n ASP 51 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 2k93 n THR 52 N 0.04 0.00 -1.46 5.18 5.66 -1.24 -4.96 114.28 117.49 2k93 n THR 52 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2k93 n THR 52 Cb 0.24 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 2k93 n THR 52 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k93 n GLU 53 N -2.17 0.00 -1.83 1.09 1.02 -1.26 -4.98 120.64 112.51 2k93 n GLU 53 Ca 0.00 0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 57.21 2k93 n GLU 53 Cb 0.23 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 2k93 n GLU 53 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2k93 s ILE 54 N -0.79 2.21 0.00 -3.67 -1.16 -1.26 -5.00 121.20 111.54 2k93 s ILE 54 Ca 0.00 0.18 0.00 0.00 -0.51 0.00 0.00 60.65 60.32 2k93 s ILE 54 Cb 0.00 -3.11 0.00 0.00 0.61 0.00 0.00 42.46 39.96 2k93 s ILE 54 CO 0.00 0.03 0.00 -0.81 -2.81 0.00 0.00 174.94 171.35 2k93 n PRO 55 N 2.43 0.71 -0.01 3.50 -0.04 -1.26 -4.67 135.00 135.66 2k93 n PRO 55 Ca 0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2k93 n PRO 55 Cb 0.38 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.69 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 -0.57 0.14 -0.04 3.54 2.03 -1.26 -4.03 116.55 116.35 2k93 n ASP 56 Ca 0.00 0.06 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 2k93 n ASP 56 Cb 0.00 1.54 -0.11 0.00 -0.72 0.00 0.00 41.12 41.83 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k93 h GLU 57 N 0.00 -0.01 0.00 -0.67 5.08 -2.03 -3.13 114.58 113.83 2k93 h GLU 57 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k93 h GLU 57 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k93 h GLU 57 CO 0.01 0.76 0.00 0.39 -1.00 0.00 0.00 179.01 179.17 2k93 n GLU 58 N -4.72 0.13 -0.01 2.33 1.02 -1.26 -1.78 120.64 116.36 2k93 n GLU 58 Ca -0.09 0.59 -0.12 0.00 -0.02 0.00 0.00 57.16 57.52 2k93 n GLU 58 Cb 0.38 -1.90 -0.07 0.00 -0.02 0.00 0.00 31.44 29.83 2k93 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k93 h ALA 59 N 2.05 0.10 -1.00 0.62 0.00 -1.68 -1.80 119.26 117.55 2k93 h ALA 59 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2k93 h ALA 59 Cb 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2k93 h ALA 59 CO 0.00 -0.31 0.64 1.49 0.00 0.00 0.00 179.25 181.07 2k93 h GLU 60 N -0.06 1.02 0.00 0.00 4.81 -1.46 0.90 114.58 119.79 2k93 h GLU 60 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k93 h GLU 60 Cb 0.19 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k93 h GLU 60 CO -0.00 0.68 0.00 1.17 -0.73 0.00 0.00 179.01 180.12 2k93 n LYS 61 N -4.57 0.66 -1.53 1.92 4.81 -1.01 -2.52 118.16 115.93 2k93 n LYS 61 Ca 0.17 0.02 0.01 0.00 -0.87 0.00 0.00 58.31 57.64 2k93 n LYS 61 Cb 0.29 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 33.92 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 -1.09 1.12 1.56 3.15 5.41 0.29 -4.78 119.36 125.03 2k93 n ILE 62 Ca 0.17 -2.32 0.09 0.00 1.00 0.00 0.00 62.75 61.68 2k93 n ILE 62 Cb 0.12 0.46 0.52 0.00 -0.71 0.00 0.00 39.64 40.03 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 -0.28 0.00 -1.51 1.39 5.66 0.14 -4.73 114.28 114.95 2k93 n THR 63 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 2k93 n THR 63 Cb 0.94 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.85 0.00 0.02 1.09 -2.24 -1.26 -2.15 114.28 108.89 2k93 n THR 64 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2k93 n THR 64 Cb 0.06 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.00 0.89 0.27 2.28 0.31 -0.95 -4.64 118.33 116.50 2k93 n VAL 65 Ca 0.00 0.24 0.04 0.00 -0.01 0.00 0.00 64.34 64.61 2k93 n VAL 65 Cb 0.00 -1.62 0.19 0.00 -0.91 0.00 0.00 33.84 31.50 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 -3.44 0.01 0.11 5.55 -0.06 -1.24 -1.24 117.38 117.08 2k93 n GLN 66 Ca -0.03 0.38 -0.04 0.00 -2.00 0.00 0.00 57.00 55.31 2k93 n GLN 66 Cb 0.22 -1.53 0.10 0.00 -4.06 0.00 0.00 30.24 24.96 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 2.26 0.80 -0.15 1.69 0.00 -1.85 -0.92 119.26 121.08 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 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k93 h ALA 67 CO 0.00 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.10 2k93 n ALA 68 N -2.43 2.50 -0.03 0.00 0.00 -0.37 -3.00 120.51 117.18 2k93 n ALA 68 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 2k93 n ALA 68 Cb 0.69 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.03 0.40 0.13 0.00 -0.00 -0.91 -4.07 119.36 114.88 2k93 n ILE 69 Ca 0.10 -0.19 -0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2k93 n ILE 69 Cb 0.18 -0.79 0.26 0.00 -0.00 0.00 0.00 39.64 39.29 2k93 n ILE 69 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2k93 h ASP 70 N 0.00 0.12 0.62 4.38 1.82 -1.21 0.42 116.42 122.58 2k93 h ASP 70 Ca -0.16 -0.05 -0.28 0.00 -0.39 0.00 0.00 57.03 56.15 2k93 h ASP 70 Cb 1.28 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2k93 h ASP 70 CO -0.01 0.54 -1.26 0.22 -1.61 0.00 0.00 179.24 177.13 2k93 h TYR 71 N 0.10 0.50 0.01 0.28 5.03 -1.78 -3.29 116.97 117.82 2k93 h TYR 71 Ca 0.01 -0.36 -0.22 0.00 2.58 0.00 0.00 58.73 60.73 2k93 h TYR 71 Cb 0.81 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 2k93 h TYR 71 CO 0.01 1.29 -0.95 0.82 -1.32 0.00 0.00 178.16 178.00 2k93 h ILE 72 N 0.07 1.44 -0.38 1.81 1.08 -1.66 -3.02 117.51 116.87 2k93 h ILE 72 Ca -0.14 -2.57 0.11 0.00 -0.39 0.00 0.00 64.86 61.87 2k93 h ILE 72 Cb 1.98 2.49 -0.02 0.00 -3.07 0.00 0.00 36.82 38.20 2k93 h ILE 72 CO 0.20 0.76 0.49 -1.13 -0.69 0.00 0.00 178.15 177.79 2k93 h ASN 73 N 0.17 0.00 0.00 1.72 -0.73 -0.22 0.38 115.58 116.90 2k93 h ASN 73 Ca -0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.10 2k93 h ASN 73 Cb 1.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.18 2k93 h ASN 73 CO 0.16 0.00 0.26 1.23 -0.37 0.00 0.00 177.43 178.70 2k93 h GLY 74 N 0.00 0.00 0.75 1.57 0.00 -1.63 -1.33 103.07 102.43 2k93 h GLY 74 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2k93 h GLY 74 CO -0.00 0.00 -0.23 0.84 0.00 0.00 0.00 176.54 177.15 2k93 h HIS 75 N 0.00 -0.60 -1.95 5.60 -0.00 -0.48 -3.44 115.15 114.28 2k93 h HIS 75 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.76 2k93 h HIS 75 Cb 0.51 0.23 -0.13 0.00 -0.00 0.00 0.00 27.41 28.02 2k93 h HIS 75 CO 0.00 -0.34 -0.67 1.14 -0.00 0.00 0.00 177.93 178.06 2k93 s GLN 76 N -6.09 1.82 0.00 5.26 1.03 -0.50 -5.21 119.66 115.97 2k93 s GLN 76 Ca -0.16 -1.94 0.00 0.00 0.04 0.00 0.00 55.36 53.30 2k93 s GLN 76 Cb 0.06 -1.68 0.00 0.00 0.03 0.00 0.00 33.01 31.43 2k93 s GLN 76 CO 0.65 0.12 0.00 0.00 -2.54 0.00 0.00 175.29 173.52