#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 -0.05 2.46 -2.24 -1.26 -4.95 114.28 108.24 2k93 n THR 2 Ca 0.00 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2k93 n THR 2 Cb 0.00 -0.80 -0.13 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.92 1.71 -0.90 2.28 5.03 -1.98 -3.33 117.51 118.41 2k93 h ILE 3 Ca -0.48 -2.18 0.16 0.00 -0.12 0.00 0.00 64.86 62.24 2k93 h ILE 3 Cb 1.30 3.19 -0.16 0.00 -3.03 0.00 0.00 36.82 38.12 2k93 h ILE 3 CO 0.39 0.57 -0.28 1.21 -0.68 0.00 0.00 178.15 179.37 2k93 n GLU 4 N -4.60 -0.14 -0.22 2.37 2.13 -1.26 0.11 120.64 119.02 2k93 n GLU 4 Ca -0.10 1.40 -0.05 0.00 0.66 0.00 0.00 57.16 59.07 2k93 n GLU 4 Cb 0.47 -2.08 0.01 0.00 0.27 0.00 0.00 31.44 30.11 2k93 n GLU 4 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k93 h GLU 5 N 0.00 -0.14 -0.14 5.31 4.81 -1.95 1.41 114.58 123.89 2k93 h GLU 5 Ca 0.38 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.47 2k93 h GLU 5 Cb 0.61 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2k93 h GLU 5 CO -0.91 -0.09 -0.55 0.00 -0.73 0.00 0.00 179.01 176.72 2k93 h ARG 6 N -0.14 0.41 0.77 1.92 3.08 0.31 -2.51 114.38 118.22 2k93 h ARG 6 Ca 0.25 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2k93 h ARG 6 Cb 0.56 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.64 2k93 h ARG 6 CO -0.71 0.86 -0.37 0.28 -1.07 0.00 0.00 179.97 178.96 2k93 h VAL 7 N 0.32 0.00 -0.85 2.04 2.07 0.41 -0.07 116.25 120.17 2k93 h VAL 7 Ca 0.00 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 67.68 2k93 h VAL 7 Cb 1.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 2k93 h VAL 7 CO 0.10 0.00 0.31 0.11 0.02 0.00 0.00 177.57 178.10 2k93 h LYS 8 N -1.08 0.33 0.25 1.57 6.56 0.17 0.67 116.57 125.03 2k93 h LYS 8 Ca -0.11 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 2k93 h LYS 8 Cb 0.79 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.37 2k93 h LYS 8 CO 0.17 0.22 -0.27 -0.22 -2.06 0.00 0.00 179.45 177.29 2k93 h LYS 9 N 0.34 -0.51 -0.34 3.15 1.63 -1.19 0.03 116.57 119.68 2k93 h LYS 9 Ca 0.52 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 60.42 2k93 h LYS 9 Cb 0.96 0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 32.63 2k93 h LYS 9 CO -0.54 -0.34 -0.18 0.82 -3.45 0.00 0.00 179.45 175.75 2k93 h ILE 10 N -0.53 0.46 -1.22 2.00 1.08 0.20 0.40 117.51 119.90 2k93 h ILE 10 Ca -0.03 0.00 0.36 0.00 -0.39 0.00 0.00 64.86 64.80 2k93 h ILE 10 Cb 0.47 0.46 -0.10 0.00 -3.07 0.00 0.00 36.82 34.58 2k93 h ILE 10 CO -0.05 0.00 0.81 0.40 -0.69 0.00 0.00 178.15 178.62 2k93 h ILE 11 N -0.13 0.32 -0.17 -0.67 1.08 0.58 1.68 117.51 120.20 2k93 h ILE 11 Ca 0.17 -0.07 -0.16 0.00 -0.39 0.00 0.00 64.86 64.42 2k93 h ILE 11 Cb 0.40 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 2k93 h ILE 11 CO -0.42 0.03 -0.55 1.23 -0.69 0.00 0.00 178.15 177.75 2k93 h GLY 12 N 0.19 0.56 2.00 5.37 0.00 0.18 -2.97 103.07 108.40 2k93 h GLY 12 Ca 0.70 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 2k93 h GLY 12 CO -0.29 0.58 -0.61 -1.61 0.00 0.00 0.00 176.54 174.61 2k93 h GLN 13 N 0.39 0.00 0.00 4.80 -0.00 0.30 1.38 115.11 121.98 2k93 h GLN 13 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2k93 h GLN 13 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.56 2k93 h GLN 13 CO 0.10 0.61 0.08 1.96 0.00 0.00 0.00 178.83 181.58 2k93 h GLN 14 N 0.00 0.00 0.00 1.69 4.20 -0.06 -3.39 115.11 117.55 2k93 h GLN 14 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2k93 h GLN 14 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2k93 h GLN 14 CO 0.08 0.00 0.00 -0.11 -0.67 0.00 0.00 178.83 178.13 2k93 n LEU 15 N -2.91 -0.55 0.00 1.46 7.94 -1.12 -2.58 117.00 119.24 2k93 n LEU 15 Ca -0.03 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2k93 n LEU 15 Cb 0.14 0.73 0.00 0.00 0.53 0.00 0.00 43.42 44.82 2k93 n LEU 15 CO 0.17 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.62 2k93 n GLY 16 N 0.00 0.52 3.35 -3.96 0.00 0.47 -5.07 105.19 100.50 2k93 n GLY 16 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.79 1.61 0.31 -1.21 -5.06 118.33 113.19 2k93 n VAL 17 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 64.34 61.88 2k93 n VAL 17 Cb 0.00 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.95 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 -0.82 3.80 -0.12 5.55 4.81 -1.26 -4.83 118.16 125.29 2k93 n LYS 18 Ca -0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 2k93 n LYS 18 Cb 0.62 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.58 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 0.54 0.26 1.64 6.02 -1.26 -3.76 117.38 120.81 2k93 n GLN 19 Ca 0.00 0.22 0.09 0.00 -0.01 0.00 0.00 57.00 57.30 2k93 n GLN 19 Cb 0.00 -1.40 0.66 0.00 1.02 0.00 0.00 30.24 30.52 2k93 n GLN 19 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2k93 h GLU 20 N -0.76 0.00 0.00 -1.09 4.81 -1.97 0.21 114.58 115.78 2k93 h GLU 20 Ca -0.62 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2k93 h GLU 20 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 2k93 h GLU 20 CO -0.34 0.07 -0.40 0.39 -0.73 0.00 0.00 179.01 178.00 2k93 n GLU 21 N -4.27 0.20 -1.70 1.92 1.02 -1.26 -3.68 120.64 112.88 2k93 n GLU 21 Ca -0.03 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 2k93 n GLU 21 Cb 0.15 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.97 2.03 -0.96 2.62 3.14 0.32 -4.12 118.33 119.41 2k93 n VAL 22 Ca 0.05 -3.47 -0.34 0.00 -2.96 0.00 0.00 64.34 57.61 2k93 n VAL 22 Cb 0.41 -0.34 0.04 0.00 -1.06 0.00 0.00 33.84 32.89 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 -1.08 1.55 -2.24 0.48 -4.69 114.28 107.60 2k93 n THR 23 Ca 0.28 -0.48 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 2k93 n THR 23 Cb 0.88 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 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 3.34 5.53 0.00 3.42 0.23 -1.26 -3.13 115.26 123.40 2k93 n ASN 24 Ca -0.02 -2.65 0.00 0.00 -0.53 0.00 0.00 54.58 51.39 2k93 n ASN 24 Cb 0.54 -1.36 0.00 0.00 -2.08 0.00 0.00 39.78 36.88 2k93 n ASN 24 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k93 n ASN 25 N 2.06 0.00 -4.47 0.53 5.15 -1.26 -4.55 115.26 112.72 2k93 n ASN 25 Ca 0.42 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 54.14 2k93 n ASN 25 Cb 0.81 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.96 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k93 s ALA 26 N 0.00 2.67 1.42 5.20 0.00 -1.18 -4.96 121.76 124.92 2k93 s ALA 26 Ca 0.00 -1.66 -0.23 0.00 0.00 0.00 0.00 51.96 50.07 2k93 s ALA 26 Cb 0.00 -0.40 0.36 0.00 0.00 0.00 0.00 23.12 23.08 2k93 s ALA 26 CO 0.00 0.40 0.83 0.43 0.00 0.00 0.00 175.76 177.42 2k93 n SER 27 N 0.01 -3.99 -0.02 0.00 7.64 -1.26 -1.40 113.62 114.59 2k93 n SER 27 Ca -0.11 -0.80 -0.01 0.00 1.01 0.00 0.00 58.87 58.96 2k93 n SER 27 Cb 0.57 -0.99 -0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2k93 n SER 27 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2k93 h PHE 28 N -3.53 0.00 0.00 1.43 -1.00 0.13 -2.27 116.94 111.69 2k93 h PHE 28 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 2k93 h PHE 28 Cb 1.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.83 2k93 h PHE 28 CO -3.73 0.00 -1.72 0.28 -1.61 0.00 0.00 178.31 171.53 2k93 n VAL 29 N -3.09 0.00 1.06 -0.55 0.31 -1.26 0.20 118.33 115.01 2k93 n VAL 29 Ca -0.02 -0.38 0.14 0.00 -0.01 0.00 0.00 64.34 64.07 2k93 n VAL 29 Cb 0.08 0.17 0.62 0.00 -0.91 0.00 0.00 33.84 33.80 2k93 n VAL 29 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k93 n GLU 30 N -2.05 0.07 0.04 5.55 1.02 -1.26 -3.05 120.64 120.96 2k93 n GLU 30 Ca -0.03 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2k93 n GLU 30 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2k93 n GLU 30 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k93 n ASP 31 N -1.46 -0.32 -0.27 1.62 8.00 -1.26 -4.83 116.55 118.03 2k93 n ASP 31 Ca 0.08 0.15 0.05 0.00 0.71 0.00 0.00 54.79 55.78 2k93 n ASP 31 Cb 0.33 0.44 0.23 0.00 -0.02 0.00 0.00 41.12 42.10 2k93 n ASP 31 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k93 n LEU 32 N -2.74 0.80 -2.50 0.64 7.94 -0.34 -4.85 117.00 115.94 2k93 n LEU 32 Ca 0.00 -0.37 -0.08 0.00 -1.11 0.00 0.00 56.01 54.44 2k93 n LEU 32 Cb 0.00 -0.08 -0.02 0.00 0.53 0.00 0.00 43.42 43.85 2k93 n LEU 32 CO 0.00 0.19 -0.03 0.61 -1.11 0.00 0.00 177.39 177.05 2k93 n GLY 33 N 0.82 -0.37 3.44 -3.96 0.00 0.17 -4.64 105.19 100.65 2k93 n GLY 33 Ca 0.09 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.26 1.57 -0.54 4.61 0.00 0.54 -4.78 120.51 119.64 2k93 n ALA 34 Ca 0.02 -2.83 -0.19 0.00 0.00 0.00 0.00 53.44 50.44 2k93 n ALA 34 Cb 0.38 -3.56 0.15 0.00 0.00 0.00 0.00 19.45 16.41 2k93 n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k93 n ASP 35 N 12.54 -2.97 -0.26 0.00 3.85 -1.26 -3.86 116.55 124.58 2k93 n ASP 35 Ca 0.46 -0.37 0.07 0.00 -0.71 0.00 0.00 54.79 54.24 2k93 n ASP 35 Cb 0.44 -0.77 0.20 0.00 -1.35 0.00 0.00 41.12 39.64 2k93 n ASP 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 2k93 h SER 36 N -2.63 -0.14 -0.20 -1.12 0.02 -1.98 0.20 113.55 107.70 2k93 h SER 36 Ca -0.26 0.18 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2k93 h SER 36 Cb 0.81 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 2k93 h SER 36 CO 0.17 -0.13 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.38 2k93 h LEU 37 N 0.19 -0.90 -0.52 5.07 3.38 -1.87 0.89 115.31 121.54 2k93 h LEU 37 Ca 0.45 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.62 2k93 h LEU 37 Cb 0.82 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2k93 h LEU 37 CO -0.61 -0.32 0.25 -0.78 0.09 0.00 0.00 178.44 177.07 2k93 h ASP 38 N -0.32 0.35 -0.44 -0.43 1.82 -0.48 1.08 116.42 118.00 2k93 h ASP 38 Ca 0.12 0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.82 2k93 h ASP 38 Cb 0.51 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 2k93 h ASP 38 CO -0.38 0.24 0.24 0.74 -1.61 0.00 0.00 179.24 178.47 2k93 h THR 39 N 0.49 1.00 -0.46 2.25 2.02 0.87 -1.12 112.91 117.96 2k93 h THR 39 Ca 0.24 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 67.12 2k93 h THR 39 Cb 0.17 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2k93 h THR 39 CO -0.18 0.09 -0.23 0.58 0.37 0.00 0.00 175.52 176.15 2k93 h VAL 40 N 0.48 1.27 0.00 3.16 2.07 0.16 -2.13 116.25 121.27 2k93 h VAL 40 Ca 0.19 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2k93 h VAL 40 Cb 0.06 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2k93 h VAL 40 CO -0.11 0.47 0.00 -0.33 0.02 0.00 0.00 177.57 177.62 2k93 h GLU 41 N 0.81 0.00 0.00 1.57 4.39 0.19 0.21 114.58 121.75 2k93 h GLU 41 Ca 0.10 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 2k93 h GLU 41 Cb 0.79 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 2k93 h GLU 41 CO 0.07 0.00 -0.85 1.25 -1.16 0.00 0.00 179.01 178.32 2k93 h LEU 42 N 0.00 0.01 0.00 1.33 5.85 -0.52 0.36 115.31 122.33 2k93 h LEU 42 Ca 0.00 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2k93 h LEU 42 Cb 0.02 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2k93 h LEU 42 CO 0.00 0.85 -0.55 0.58 -0.34 0.00 0.00 178.44 178.98 2k93 h VAL 43 N 0.00 0.76 0.08 1.05 2.07 -0.63 -3.06 116.25 116.52 2k93 h VAL 43 Ca -0.01 -2.09 -0.27 0.00 0.82 0.00 0.00 66.70 65.15 2k93 h VAL 43 Cb 1.50 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 2k93 h VAL 43 CO 0.11 0.43 -1.43 0.24 0.02 0.00 0.00 177.57 176.94 2k93 h MET 44 N 0.00 0.17 -0.44 1.57 2.86 -1.25 -3.00 114.93 114.84 2k93 h MET 44 Ca -0.02 -0.29 0.08 0.00 -2.06 0.00 0.00 59.70 57.41 2k93 h MET 44 Cb 1.37 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 33.07 2k93 h MET 44 CO 0.06 1.14 0.03 0.00 1.06 0.00 0.00 176.91 179.20 2k93 h ALA 45 N -0.14 0.44 0.00 6.32 0.00 -0.39 1.63 119.26 127.12 2k93 h ALA 45 Ca -0.33 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2k93 h ALA 45 Cb 1.66 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2k93 h ALA 45 CO -0.01 -0.36 -0.18 -0.07 0.00 0.00 0.00 179.25 178.62 2k93 h LEU 46 N 0.15 0.00 0.03 0.00 3.38 -1.70 1.53 115.31 118.70 2k93 h LEU 46 Ca 0.22 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.96 2k93 h LEU 46 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2k93 h LEU 46 CO -0.34 0.18 -1.10 -0.33 0.09 0.00 0.00 178.44 176.95 2k93 h GLU 47 N 0.00 0.06 0.00 1.13 4.39 -0.10 0.38 114.58 120.43 2k93 h GLU 47 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2k93 h GLU 47 Cb 0.61 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2k93 h GLU 47 CO 0.02 1.02 -1.13 -1.91 -1.16 0.00 0.00 179.01 175.85 2k93 n GLU 48 N -3.37 0.16 -0.06 2.33 2.13 0.51 -2.49 120.64 119.85 2k93 n GLU 48 Ca -0.03 -0.03 -0.04 0.00 0.66 0.00 0.00 57.16 57.72 2k93 n GLU 48 Cb 0.97 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 31.14 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 -1.71 0.36 -0.16 5.31 0.00 0.52 -4.71 120.64 120.25 2k93 n GLU 49 Ca 0.02 0.46 0.06 0.00 0.00 0.00 0.00 57.16 57.70 2k93 n GLU 49 Cb 0.39 -1.48 0.08 0.00 0.00 0.00 0.00 31.44 30.42 2k93 n GLU 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2k93 n PHE 50 N -4.11 0.00 -3.97 4.31 -0.00 -0.64 -5.01 117.46 108.04 2k93 n PHE 50 Ca -0.06 -0.63 -0.38 0.00 -0.00 0.00 0.00 57.45 56.38 2k93 n PHE 50 Cb 0.22 -0.10 0.01 0.00 -0.00 0.00 0.00 39.48 39.61 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2k93 n ASP 51 N -0.87 -4.00 -0.00 -2.13 -0.08 0.11 -4.83 116.55 104.75 2k93 n ASP 51 Ca 0.09 -1.13 0.01 0.00 -1.51 0.00 0.00 54.79 52.25 2k93 n ASP 51 Cb 0.60 -1.47 -0.02 0.00 2.34 0.00 0.00 41.12 42.57 2k93 n ASP 51 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2k93 n THR 52 N -4.12 0.00 -3.12 5.18 5.66 -0.14 -4.91 114.28 112.83 2k93 n THR 52 Ca -0.16 -0.37 -0.00 0.00 -3.05 0.00 0.00 64.05 60.47 2k93 n THR 52 Cb 0.56 0.91 -0.00 0.00 -1.55 0.00 0.00 70.33 70.24 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 -1.16 -0.84 -2.04 1.09 0.28 -1.25 -4.80 120.64 111.91 2k93 n GLU 53 Ca 0.00 1.06 -0.41 0.00 -0.16 0.00 0.00 57.16 57.66 2k93 n GLU 53 Cb 0.05 -1.13 -0.02 0.00 1.43 0.00 0.00 31.44 31.77 2k93 n GLU 53 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2k93 s ILE 54 N -0.63 2.60 0.39 3.84 2.07 -1.25 -5.00 121.20 123.21 2k93 s ILE 54 Ca -0.01 0.58 -0.07 0.00 -1.41 0.00 0.00 60.65 59.75 2k93 s ILE 54 Cb 0.00 -3.37 0.09 0.00 0.13 0.00 0.00 42.46 39.32 2k93 s ILE 54 CO 0.04 0.12 0.42 -0.81 -1.91 0.00 0.00 174.94 172.81 2k93 n PRO 55 N 1.18 -1.10 0.06 3.50 -0.04 -1.26 -4.74 135.00 132.60 2k93 n PRO 55 Ca 0.02 -0.67 0.11 0.00 -0.04 0.00 0.00 63.50 62.93 2k93 n PRO 55 Cb 0.41 -0.52 0.02 0.00 -0.04 0.00 0.00 33.50 33.37 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 -3.48 0.65 -0.06 3.54 2.03 -1.26 -3.66 116.55 114.32 2k93 n ASP 56 Ca 0.06 0.06 -0.10 0.00 0.52 0.00 0.00 54.79 55.32 2k93 n ASP 56 Cb 0.20 0.67 -0.09 0.00 -0.72 0.00 0.00 41.12 41.18 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 -0.67 -0.67 4.39 -2.01 -3.31 114.58 112.30 2k93 h GLU 57 Ca 0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 2k93 h GLU 57 Cb 0.85 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 2k93 h GLU 57 CO 0.00 0.69 0.44 0.93 -1.16 0.00 0.00 179.01 179.92 2k93 h GLU 58 N -0.98 0.48 -0.33 2.33 5.08 -1.96 -1.40 114.58 117.79 2k93 h GLU 58 Ca -0.00 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2k93 h GLU 58 Cb 0.71 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 2k93 h GLU 58 CO 0.00 0.32 -0.24 0.00 -1.00 0.00 0.00 179.01 178.09 2k93 h ALA 59 N 1.67 -0.05 -0.51 3.43 0.00 -1.65 0.75 119.26 122.91 2k93 h ALA 59 Ca 0.31 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 2k93 h ALA 59 Cb 0.55 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k93 h ALA 59 CO -0.10 -0.63 0.02 1.49 0.00 0.00 0.00 179.25 180.03 2k93 h GLU 60 N -0.20 0.83 0.00 0.00 4.81 -1.37 -0.47 114.58 118.19 2k93 h GLU 60 Ca 0.17 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k93 h GLU 60 Cb 0.46 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2k93 h GLU 60 CO -0.45 0.82 0.00 1.17 -0.73 0.00 0.00 179.01 179.83 2k93 n LYS 61 N -4.22 0.30 -0.37 1.92 0.00 0.05 -1.80 118.16 114.04 2k93 n LYS 61 Ca 0.03 0.09 0.07 0.00 0.00 0.00 0.00 58.31 58.50 2k93 n LYS 61 Cb 0.30 -1.50 0.18 0.00 0.00 0.00 0.00 35.03 34.01 2k93 n LYS 61 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2k93 n ILE 62 N -1.27 2.11 0.06 3.15 5.41 0.24 -4.73 119.36 124.33 2k93 n ILE 62 Ca 0.10 -2.61 0.19 0.00 1.00 0.00 0.00 62.75 61.43 2k93 n ILE 62 Cb 0.15 -0.25 0.54 0.00 -0.71 0.00 0.00 39.64 39.37 2k93 n ILE 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k93 h THR 63 N 0.63 0.12 -2.51 1.39 1.03 -0.97 -3.39 112.91 109.21 2k93 h THR 63 Ca 0.02 0.00 -0.46 0.00 -0.01 0.00 0.00 66.41 65.97 2k93 h THR 63 Cb 1.12 0.33 0.02 0.00 -1.07 0.00 0.00 68.15 68.54 2k93 h THR 63 CO 0.07 0.00 -0.18 0.42 -0.01 0.00 0.00 175.52 175.81 2k93 s THR 64 N -4.37 4.26 -0.08 0.00 -4.23 -1.26 0.85 115.64 110.81 2k93 s THR 64 Ca -0.03 -0.63 -0.23 0.00 -1.18 0.00 0.00 61.69 59.63 2k93 s THR 64 Cb 0.11 -3.55 -0.29 0.00 1.34 0.00 0.00 72.50 70.11 2k93 s THR 64 CO 0.39 -0.33 0.81 0.58 -0.54 0.00 0.00 174.62 175.53 2k93 h VAL 65 N 0.61 1.49 0.00 2.29 2.07 -1.44 -3.21 116.25 118.06 2k93 h VAL 65 Ca -0.47 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.58 2k93 h VAL 65 Cb 1.25 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 2k93 h VAL 65 CO 0.57 0.68 0.00 1.67 0.02 0.00 0.00 177.57 180.51 2k93 n GLN 66 N -4.21 0.08 0.06 1.57 -0.06 -1.26 -0.70 117.38 112.87 2k93 n GLN 66 Ca -0.15 0.55 -0.05 0.00 -2.00 0.00 0.00 57.00 55.35 2k93 n GLN 66 Cb 0.76 -1.76 0.14 0.00 -4.06 0.00 0.00 30.24 25.32 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 2.04 0.89 -0.13 1.69 0.00 -1.85 -0.98 119.26 120.92 2k93 h ALA 67 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k93 h ALA 67 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k93 h ALA 67 CO 0.00 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.93 2k93 n ALA 68 N -2.48 2.51 -0.00 0.00 0.00 0.12 -1.54 120.51 119.12 2k93 n ALA 68 Ca -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.14 2k93 n ALA 68 Cb 0.57 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.12 0.01 -0.08 0.00 -0.00 -0.74 -4.01 119.36 114.42 2k93 n ILE 69 Ca 0.09 -0.10 -0.20 0.00 -0.00 0.00 0.00 62.75 62.54 2k93 n ILE 69 Cb 0.16 0.36 -0.13 0.00 -0.00 0.00 0.00 39.64 40.04 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 -1.67 2.03 0.03 4.38 2.03 -0.45 -3.29 116.55 119.61 2k93 n ASP 70 Ca -0.01 0.01 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 2k93 n ASP 70 Cb 0.13 -0.60 -0.11 0.00 -0.72 0.00 0.00 41.12 39.82 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 -0.02 0.78 -0.19 -0.67 3.20 -1.53 -3.24 116.97 115.30 2k93 h TYR 71 Ca -0.52 -0.44 -0.10 0.00 3.14 0.00 0.00 58.73 60.80 2k93 h TYR 71 Cb 1.93 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.11 2k93 h TYR 71 CO 0.05 1.27 -0.33 0.82 -1.64 0.00 0.00 178.16 178.33 2k93 h ILE 72 N 0.07 1.28 -0.32 1.81 1.08 -1.74 -2.24 117.51 117.45 2k93 h ILE 72 Ca -0.11 -1.39 0.09 0.00 -0.39 0.00 0.00 64.86 63.07 2k93 h ILE 72 Cb 1.51 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 36.74 2k93 h ILE 72 CO 0.16 0.43 0.58 -1.13 -0.69 0.00 0.00 178.15 177.50 2k93 h ASN 73 N 0.34 0.00 -1.12 1.72 -0.73 -1.57 -0.28 115.58 113.94 2k93 h ASN 73 Ca 0.04 0.00 0.33 0.00 1.87 0.00 0.00 56.30 58.54 2k93 h ASN 73 Cb 0.75 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.29 2k93 h ASN 73 CO 0.06 0.00 1.14 1.23 -0.37 0.00 0.00 177.43 179.49 2k93 h GLY 74 N 0.00 0.00 0.86 1.57 0.00 -1.52 1.57 103.07 105.55 2k93 h GLY 74 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.53 2k93 h GLY 74 CO -0.00 0.00 0.64 0.84 0.00 0.00 0.00 176.54 178.02 2k93 h HIS 75 N 0.00 1.18 -0.91 5.60 -0.00 -1.30 -3.43 115.15 116.29 2k93 h HIS 75 Ca 0.53 0.03 -0.65 0.00 -0.00 0.00 0.00 60.37 60.28 2k93 h HIS 75 Cb 2.82 -0.39 0.08 0.00 -0.00 0.00 0.00 27.41 29.91 2k93 h HIS 75 CO 0.00 0.66 -0.29 0.00 -0.00 0.00 0.00 177.93 178.29 2k93 n GLN 76 N -4.46 0.00 0.00 5.26 10.64 0.53 -5.23 117.38 124.12 2k93 n GLN 76 Ca 0.14 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.37 2k93 n GLN 76 Cb 0.13 -1.08 0.05 0.00 -0.86 0.00 0.00 30.24 28.48 2k93 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23