#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 3.89 0.00 2.46 -4.23 -1.26 -4.90 115.64 111.60 2k93 s THR 2 Ca 0.00 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 2k93 s THR 2 Cb 0.00 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2k93 s THR 2 CO 0.00 -0.43 0.72 -0.38 -0.54 0.00 0.00 174.62 173.99 2k93 n ILE 3 N -2.34 0.00 -0.21 2.99 2.08 -1.26 -0.96 119.36 119.65 2k93 n ILE 3 Ca 0.03 1.22 -0.02 0.00 0.56 0.00 0.00 62.75 64.54 2k93 n ILE 3 Cb 0.57 -1.89 0.04 0.00 -0.75 0.00 0.00 39.64 37.61 2k93 n ILE 3 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2k93 h GLU 4 N 0.00 -0.08 -0.89 0.38 4.81 -1.95 -0.12 114.58 116.73 2k93 h GLU 4 Ca 0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 2k93 h GLU 4 Cb 0.00 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 29.26 2k93 h GLU 4 CO 0.00 -0.05 -0.38 -1.91 -0.73 0.00 0.00 179.01 175.94 2k93 n GLU 5 N -5.45 -0.24 -0.19 1.92 2.13 -0.92 0.14 120.64 118.03 2k93 n GLU 5 Ca 0.06 1.36 -0.07 0.00 0.66 0.00 0.00 57.16 59.18 2k93 n GLU 5 Cb 0.35 -2.02 0.03 0.00 0.27 0.00 0.00 31.44 30.07 2k93 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k93 h ARG 6 N 0.00 0.73 0.11 5.31 3.08 0.78 -1.51 114.38 122.88 2k93 h ARG 6 Ca 0.28 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2k93 h ARG 6 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2k93 h ARG 6 CO -0.87 0.49 -0.17 0.28 -1.07 0.00 0.00 179.97 178.62 2k93 h VAL 7 N 0.74 0.00 -0.90 2.04 2.07 0.20 0.10 116.25 120.51 2k93 h VAL 7 Ca 0.20 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.95 2k93 h VAL 7 Cb -0.07 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.53 2k93 h VAL 7 CO -0.04 0.00 0.04 0.11 0.02 0.00 0.00 177.57 177.70 2k93 h LYS 8 N -0.30 0.06 0.12 1.57 1.57 -0.41 0.96 116.57 120.14 2k93 h LYS 8 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k93 h LYS 8 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2k93 h LYS 8 CO -0.06 0.04 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.36 2k93 h LYS 9 N 0.07 -0.44 -0.49 3.15 3.11 -0.48 0.42 116.57 121.91 2k93 h LYS 9 Ca 0.53 0.03 0.09 0.00 -2.81 0.00 0.00 60.65 58.49 2k93 h LYS 9 Cb 1.04 0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 32.30 2k93 h LYS 9 CO -0.81 -0.29 0.07 0.82 -2.81 0.00 0.00 179.45 176.43 2k93 h ILE 10 N -0.45 0.69 -0.97 2.00 1.08 0.16 0.27 117.51 120.28 2k93 h ILE 10 Ca -0.01 -0.07 0.22 0.00 -0.39 0.00 0.00 64.86 64.61 2k93 h ILE 10 Cb 0.44 0.48 -0.08 0.00 -3.07 0.00 0.00 36.82 34.58 2k93 h ILE 10 CO -0.13 0.04 0.63 0.40 -0.69 0.00 0.00 178.15 178.39 2k93 h ILE 11 N 0.19 0.63 0.00 -0.67 1.08 0.14 1.65 117.51 120.54 2k93 h ILE 11 Ca 0.25 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2k93 h ILE 11 Cb 0.35 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2k93 h ILE 11 CO -0.35 0.09 0.00 1.23 -0.69 0.00 0.00 178.15 178.43 2k93 h GLY 12 N 0.47 0.00 0.26 5.37 0.00 0.35 -2.78 103.07 106.75 2k93 h GLY 12 Ca 0.53 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.50 2k93 h GLY 12 CO -0.25 0.00 -2.23 -1.06 0.00 0.00 0.00 176.54 173.00 2k93 n GLN 13 N -2.61 0.68 -0.16 4.80 6.02 0.53 0.21 117.38 126.84 2k93 n GLN 13 Ca 0.01 0.12 0.29 0.00 -0.01 0.00 0.00 57.00 57.41 2k93 n GLN 13 Cb 0.24 -1.60 0.66 0.00 1.02 0.00 0.00 30.24 30.57 2k93 n GLN 13 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2k93 h GLN 14 N 0.01 0.00 0.00 -1.09 4.20 -0.15 -1.85 115.11 116.23 2k93 h GLN 14 Ca -0.49 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 2k93 h GLN 14 Cb 2.10 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.83 2k93 h GLN 14 CO 0.02 0.00 -0.31 1.28 -0.67 0.00 0.00 178.83 179.14 2k93 n LEU 15 N -3.71 -0.00 -2.35 1.46 4.77 -1.24 -4.40 117.00 111.52 2k93 n LEU 15 Ca 0.19 -1.17 -0.16 0.00 -0.03 0.00 0.00 56.01 54.84 2k93 n LEU 15 Cb 1.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.23 2k93 n LEU 15 CO 0.31 0.70 -0.20 0.61 -1.33 0.00 0.00 177.39 177.48 2k93 n GLY 16 N 0.04 -0.33 3.80 -0.72 0.00 -0.06 -4.94 105.19 102.97 2k93 n GLY 16 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2k93 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k93 s VAL 17 N -2.77 1.98 0.00 1.61 1.01 0.55 -4.88 120.40 117.91 2k93 s VAL 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2k93 s VAL 17 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2k93 s VAL 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.10 176.27 2k93 n LYS 18 N -3.77 3.51 -0.08 2.72 4.81 -1.26 -4.41 118.16 119.68 2k93 n LYS 18 Ca 0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 2k93 n LYS 18 Cb 0.59 0.00 -0.06 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 0.36 0.24 1.64 6.02 -1.26 -4.15 117.38 120.23 2k93 n GLN 19 Ca 0.00 0.12 0.08 0.00 -0.01 0.00 0.00 57.00 57.20 2k93 n GLN 19 Cb 0.00 -1.19 0.59 0.00 1.02 0.00 0.00 30.24 30.67 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 -0.31 0.00 0.00 -1.09 5.08 -1.97 0.43 114.58 116.71 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 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2k93 h GLU 20 CO -0.16 0.17 -0.21 0.39 -1.00 0.00 0.00 179.01 178.20 2k93 n GLU 21 N -3.99 0.21 -2.66 2.33 4.71 -1.26 -3.77 120.64 116.21 2k93 n GLU 21 Ca -0.02 0.13 -0.07 0.00 -0.01 0.00 0.00 57.16 57.19 2k93 n GLU 21 Cb 0.26 -1.70 0.04 0.00 -1.01 0.00 0.00 31.44 29.02 2k93 n GLU 21 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2k93 n VAL 22 N -2.05 1.41 -0.26 2.62 0.31 -0.16 -4.85 118.33 115.36 2k93 n VAL 22 Ca 0.05 -3.25 -0.09 0.00 -0.01 0.00 0.00 64.34 61.03 2k93 n VAL 22 Cb 0.41 0.64 0.09 0.00 -0.91 0.00 0.00 33.84 34.08 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 -0.43 0.00 -1.15 2.52 -2.24 0.13 -4.72 114.28 108.38 2k93 n THR 23 Ca 0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.75 2k93 n THR 23 Cb 0.82 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.75 5.82 0.00 3.42 0.23 -1.26 -3.36 115.26 118.35 2k93 n ASN 24 Ca 0.04 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.29 2k93 n ASN 24 Cb 0.18 -1.30 0.00 0.00 -2.08 0.00 0.00 39.78 36.58 2k93 n ASN 24 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2k93 n ASN 25 N 1.65 0.00 -4.97 0.53 6.94 -1.26 -4.72 115.26 113.43 2k93 n ASN 25 Ca 0.42 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.76 2k93 n ASN 25 Cb 0.72 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.13 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k93 s ALA 26 N 0.00 3.95 0.41 -2.53 0.00 -1.21 -4.96 121.76 117.42 2k93 s ALA 26 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2k93 s ALA 26 Cb 0.00 -1.84 0.06 0.00 0.00 0.00 0.00 23.12 21.34 2k93 s ALA 26 CO 0.00 0.03 0.45 0.43 0.00 0.00 0.00 175.76 176.67 2k93 n SER 27 N -1.64 0.92 0.01 0.00 7.64 -1.26 -3.08 113.62 116.20 2k93 n SER 27 Ca -0.04 -1.70 -0.03 0.00 1.01 0.00 0.00 58.87 58.11 2k93 n SER 27 Cb 0.57 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.85 0.00 0.21 1.43 3.01 -0.88 -4.18 117.46 115.21 2k93 n PHE 28 Ca 0.08 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.66 2k93 n PHE 28 Cb 0.31 -0.12 0.16 0.00 -0.01 0.00 0.00 39.48 39.82 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 -0.16 0.03 0.00 -4.37 2.07 -1.83 2.01 116.25 114.00 2k93 h VAL 29 Ca -0.05 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2k93 h VAL 29 Cb 0.54 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2k93 h VAL 29 CO -0.03 0.02 -0.79 -0.62 0.02 0.00 0.00 177.57 176.17 2k93 n GLU 30 N -3.09 0.01 0.00 1.57 1.02 -1.26 -3.52 120.64 115.37 2k93 n GLU 30 Ca 0.04 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2k93 n GLU 30 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.52 0.00 -1.41 1.62 2.03 -1.16 -4.77 116.55 111.34 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 0.34 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.89 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 -2.08 4.13 -2.16 -2.67 4.77 0.20 -4.85 117.00 114.34 2k93 n LEU 32 Ca 0.00 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 2k93 n LEU 32 Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2k93 n LEU 32 CO 0.00 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2k93 n GLY 33 N 0.02 -0.41 3.07 -0.72 0.00 0.57 -2.44 105.19 105.28 2k93 n GLY 33 Ca 0.22 0.00 -0.00 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 -2.11 -2.22 -2.80 4.61 0.00 0.48 -4.67 120.51 113.81 2k93 n ALA 34 Ca 0.00 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 2k93 n ALA 34 Cb 0.41 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 2k93 n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k93 s ASP 35 N -0.98 5.82 0.58 0.00 1.11 -1.02 -4.93 116.67 117.24 2k93 s ASP 35 Ca -0.01 0.25 0.30 0.00 0.18 0.00 0.00 52.55 53.27 2k93 s ASP 35 Cb 0.00 -1.86 1.44 0.00 1.07 0.00 0.00 42.92 43.57 2k93 s ASP 35 CO 0.18 0.32 1.84 -1.28 1.18 0.00 0.00 175.17 177.41 2k93 h SER 36 N 5.61 0.00 -0.36 0.27 0.87 -1.93 0.90 113.55 118.90 2k93 h SER 36 Ca -0.48 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.94 2k93 h SER 36 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2k93 h SER 36 CO 0.61 0.00 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.55 2k93 h LEU 37 N 0.00 0.93 -0.08 2.23 3.38 -1.93 0.29 115.31 120.13 2k93 h LEU 37 Ca 0.31 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2k93 h LEU 37 Cb 1.51 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2k93 h LEU 37 CO -0.00 1.15 -0.05 -0.78 0.09 0.00 0.00 178.44 178.85 2k93 h ASP 38 N 0.75 0.19 -0.55 -0.43 3.58 0.57 1.60 116.42 122.13 2k93 h ASP 38 Ca 0.08 -0.43 -0.04 0.00 0.42 0.00 0.00 57.03 57.06 2k93 h ASP 38 Cb 0.86 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 2k93 h ASP 38 CO 0.08 0.58 0.21 0.74 -2.88 0.00 0.00 179.24 177.96 2k93 h THR 39 N -0.20 1.22 0.12 2.25 2.02 -1.15 0.34 112.91 117.50 2k93 h THR 39 Ca 0.02 -0.72 -0.27 0.00 0.77 0.00 0.00 66.41 66.20 2k93 h THR 39 Cb 0.51 0.55 0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2k93 h THR 39 CO 0.01 0.28 -1.15 0.58 0.37 0.00 0.00 175.52 175.62 2k93 h VAL 40 N 0.85 1.33 0.00 3.16 2.07 -0.32 -3.13 116.25 120.21 2k93 h VAL 40 Ca 0.20 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 2k93 h VAL 40 Cb 0.21 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2k93 h VAL 40 CO -0.01 0.73 -0.03 -0.33 0.02 0.00 0.00 177.57 177.95 2k93 h GLU 41 N 0.14 0.00 0.00 1.57 4.39 0.27 0.95 114.58 121.89 2k93 h GLU 41 Ca -0.18 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 2k93 h GLU 41 Cb 1.84 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.48 2k93 h GLU 41 CO 0.22 0.03 -0.54 1.25 -1.16 0.00 0.00 179.01 178.81 2k93 h LEU 42 N 0.00 0.00 0.00 1.33 5.85 -0.89 1.46 115.31 123.07 2k93 h LEU 42 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2k93 h LEU 42 Cb 0.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2k93 h LEU 42 CO 0.00 0.54 -0.68 0.58 -0.34 0.00 0.00 178.44 178.55 2k93 h VAL 43 N 0.00 0.73 0.03 1.05 2.07 -0.82 -2.79 116.25 116.52 2k93 h VAL 43 Ca -0.01 -2.09 -0.39 0.00 0.82 0.00 0.00 66.70 65.04 2k93 h VAL 43 Cb 1.30 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 33.31 2k93 h VAL 43 CO 0.07 0.42 -2.35 0.23 0.02 0.00 0.00 177.57 175.96 2k93 n MET 44 N -3.14 0.67 -0.06 1.57 2.81 -0.66 -3.36 117.12 114.96 2k93 n MET 44 Ca -0.00 0.19 -0.10 0.00 -1.81 0.00 0.00 57.70 55.98 2k93 n MET 44 Cb 0.74 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.03 0.30 0.00 3.04 0.00 0.19 1.12 119.26 123.88 2k93 h ALA 45 Ca -0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2k93 h ALA 45 Cb 1.92 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2k93 h ALA 45 CO -0.06 -0.18 -0.19 -0.07 0.00 0.00 0.00 179.25 178.75 2k93 h LEU 46 N 0.28 0.00 0.11 0.00 3.38 -1.65 0.21 115.31 117.63 2k93 h LEU 46 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 2k93 h LEU 46 Cb 0.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.82 2k93 h LEU 46 CO -0.01 0.19 -0.77 -0.33 0.09 0.00 0.00 178.44 177.61 2k93 h GLU 47 N 0.00 0.33 0.00 1.13 5.08 -1.27 -2.76 114.58 117.09 2k93 h GLU 47 Ca -0.00 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2k93 h GLU 47 Cb 0.66 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2k93 h GLU 47 CO 0.02 1.21 0.00 -1.91 -1.00 0.00 0.00 179.01 177.34 2k93 n GLU 48 N -4.14 0.19 0.00 2.33 0.00 0.38 -1.29 120.64 118.11 2k93 n GLU 48 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2k93 n GLU 48 Cb 0.79 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 30.46 2k93 n GLU 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k93 n GLU 49 N -2.12 0.00 -1.61 5.31 4.07 0.05 -4.72 120.64 121.62 2k93 n GLU 49 Ca 0.04 0.40 -0.00 0.00 -0.06 0.00 0.00 57.16 57.54 2k93 n GLU 49 Cb 0.33 -1.21 0.01 0.00 -0.06 0.00 0.00 31.44 30.51 2k93 n GLU 49 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2k93 n PHE 50 N -1.70 0.02 -2.76 4.31 1.16 -1.23 -5.05 117.46 112.22 2k93 n PHE 50 Ca 0.00 -0.79 -0.05 0.00 -1.87 0.00 0.00 57.45 54.74 2k93 n PHE 50 Cb 0.00 0.14 0.01 0.00 -1.61 0.00 0.00 39.48 38.02 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2k93 n ASP 51 N 0.08 -7.83 -2.69 5.98 4.64 -0.41 -5.01 116.55 111.31 2k93 n ASP 51 Ca -0.05 0.89 -0.08 0.00 -1.38 0.00 0.00 54.79 54.17 2k93 n ASP 51 Cb 0.96 -5.26 0.10 0.00 -1.04 0.00 0.00 41.12 35.88 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 0.10 0.23 -1.30 5.18 5.66 -1.04 -4.98 114.28 118.12 2k93 n THR 52 Ca 0.07 -1.87 -0.51 0.00 -3.05 0.00 0.00 64.05 58.69 2k93 n THR 52 Cb 0.26 0.93 -0.07 0.00 -1.55 0.00 0.00 70.33 69.90 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 -0.46 0.00 -3.86 1.09 0.28 -1.26 -4.55 120.64 111.88 2k93 n GLU 53 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 2k93 n GLU 53 Cb 0.84 -1.23 -0.06 0.00 1.43 0.00 0.00 31.44 32.42 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 0.75 5.48 0.07 3.84 2.07 -1.26 -5.01 121.20 127.13 2k93 s ILE 54 Ca 0.78 0.23 -0.01 0.00 -1.41 0.00 0.00 60.65 60.24 2k93 s ILE 54 Cb -1.10 -3.42 0.02 0.00 0.13 0.00 0.00 42.46 38.08 2k93 s ILE 54 CO 0.53 0.60 0.08 -0.81 -1.91 0.00 0.00 174.94 173.44 2k93 n PRO 55 N 1.92 -0.62 0.06 3.50 -0.04 -1.26 -4.66 135.00 133.90 2k93 n PRO 55 Ca -0.19 -0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.25 2k93 n PRO 55 Cb 0.55 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.84 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 -3.09 0.56 -0.04 3.54 4.64 -1.26 -3.87 116.55 117.03 2k93 n ASP 56 Ca 0.01 0.22 -0.16 0.00 -1.38 0.00 0.00 54.79 53.48 2k93 n ASP 56 Cb 0.04 0.95 -0.07 0.00 -1.04 0.00 0.00 41.12 41.00 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 2k93 h GLU 57 N 0.00 0.78 -0.17 -0.67 5.08 -2.02 -3.25 114.58 114.34 2k93 h GLU 57 Ca -0.01 -0.59 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2k93 h GLU 57 Cb 1.04 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2k93 h GLU 57 CO 0.00 1.21 0.09 0.93 -1.00 0.00 0.00 179.01 180.24 2k93 h GLU 58 N 0.52 0.24 -1.00 2.33 5.08 -1.96 -2.33 114.58 117.46 2k93 h GLU 58 Ca -0.03 -0.03 0.40 0.00 -1.00 0.00 0.00 59.36 58.70 2k93 h GLU 58 Cb 1.29 -0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 2k93 h GLU 58 CO 0.14 0.23 0.48 0.00 -1.00 0.00 0.00 179.01 178.86 2k93 h ALA 59 N 0.99 2.04 0.15 3.43 0.00 -1.67 0.96 119.26 125.16 2k93 h ALA 59 Ca 0.06 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2k93 h ALA 59 Cb 0.07 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k93 h ALA 59 CO -0.01 -0.90 -0.21 1.49 0.00 0.00 0.00 179.25 179.62 2k93 h GLU 60 N 0.01 -0.36 0.00 0.00 4.81 -1.49 0.64 114.58 118.18 2k93 h GLU 60 Ca 0.82 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.07 2k93 h GLU 60 Cb 2.10 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.57 2k93 h GLU 60 CO -0.79 -0.24 0.00 1.57 -0.73 0.00 0.00 179.01 178.82 2k93 h LYS 61 N -0.38 0.00 -0.44 1.92 2.10 -0.70 0.28 116.57 119.36 2k93 h LYS 61 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2k93 h LYS 61 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2k93 h LYS 61 CO -0.06 0.00 0.00 -0.89 -2.00 0.00 0.00 179.45 176.50 2k93 n ILE 62 N -2.47 0.58 -0.22 0.07 5.41 0.30 -4.35 119.36 118.67 2k93 n ILE 62 Ca -0.00 -0.65 0.31 0.00 1.00 0.00 0.00 62.75 63.40 2k93 n ILE 62 Cb 0.14 0.48 0.59 0.00 -0.71 0.00 0.00 39.64 40.14 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 3.22 0.12 -1.23 1.39 1.03 0.40 -3.39 112.91 114.45 2k93 h THR 63 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2k93 h THR 63 Cb 0.73 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 2k93 h THR 63 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 175.86 2k93 n THR 64 N -3.52 0.00 -0.01 0.00 -2.24 -1.26 -2.07 114.28 105.18 2k93 n THR 64 Ca 0.23 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.96 2k93 n THR 64 Cb 1.37 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.67 0.15 2.28 0.31 -1.18 -4.59 118.33 115.97 2k93 n VAL 65 Ca 0.00 0.08 0.08 0.00 -0.01 0.00 0.00 64.34 64.49 2k93 n VAL 65 Cb 0.00 -1.64 0.43 0.00 -0.91 0.00 0.00 33.84 31.72 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 -3.41 0.11 0.19 5.55 -0.06 -1.26 -0.28 117.38 118.21 2k93 n GLN 66 Ca -0.08 0.58 0.06 0.00 -2.00 0.00 0.00 57.00 55.56 2k93 n GLN 66 Cb 0.41 -1.83 0.32 0.00 -4.06 0.00 0.00 30.24 25.08 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 2.03 0.95 -0.16 1.69 0.00 -1.87 -1.93 119.26 119.97 2k93 h ALA 67 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k93 h ALA 67 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k93 h ALA 67 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2k93 n ALA 68 N -2.27 2.51 -0.05 0.00 0.00 0.62 -3.44 120.51 117.89 2k93 n ALA 68 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 2k93 n ALA 68 Cb 0.52 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 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 0.02 0.57 0.02 0.00 -0.00 -0.79 -3.96 119.36 115.22 2k93 n ILE 69 Ca 0.12 -0.24 0.03 0.00 -0.00 0.00 0.00 62.75 62.66 2k93 n ILE 69 Cb 0.21 -0.85 0.40 0.00 -0.00 0.00 0.00 39.64 39.40 2k93 n ILE 69 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 2k93 h ASP 70 N 0.00 0.45 0.50 4.38 2.03 -1.43 1.73 116.42 124.07 2k93 h ASP 70 Ca -0.22 -0.03 -0.30 0.00 -0.73 0.00 0.00 57.03 55.74 2k93 h ASP 70 Cb 1.37 -0.11 0.01 0.00 -0.83 0.00 0.00 39.33 39.77 2k93 h ASP 70 CO -0.03 0.39 -1.35 0.22 -1.03 0.00 0.00 179.24 177.44 2k93 h TYR 71 N 0.50 0.65 -0.00 4.15 5.03 -1.80 -3.30 116.97 122.21 2k93 h TYR 71 Ca 0.13 -0.47 -0.21 0.00 2.58 0.00 0.00 58.73 60.76 2k93 h TYR 71 Cb 0.07 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 2k93 h TYR 71 CO 0.00 1.38 -0.89 0.82 -1.32 0.00 0.00 178.16 178.16 2k93 h ILE 72 N 0.10 1.46 -1.23 1.81 1.08 -1.53 -3.06 117.51 116.13 2k93 h ILE 72 Ca -0.18 -2.53 0.36 0.00 -0.39 0.00 0.00 64.86 62.11 2k93 h ILE 72 Cb 2.04 2.43 -0.05 0.00 -3.07 0.00 0.00 36.82 38.17 2k93 h ILE 72 CO 0.22 0.74 0.88 -1.13 -0.69 0.00 0.00 178.15 178.18 2k93 h ASN 73 N 0.16 0.02 -0.57 1.72 -0.73 0.25 0.42 115.58 116.85 2k93 h ASN 73 Ca -0.05 0.01 0.17 0.00 1.87 0.00 0.00 56.30 58.29 2k93 h ASN 73 Cb 1.52 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.08 2k93 h ASN 73 CO 0.14 0.00 0.85 1.23 -0.37 0.00 0.00 177.43 179.28 2k93 h GLY 74 N 0.02 0.00 0.26 1.57 0.00 -1.66 -0.50 103.07 102.77 2k93 h GLY 74 Ca 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 2k93 h GLY 74 CO -0.02 0.00 -0.25 0.84 0.00 0.00 0.00 176.54 177.11 2k93 h HIS 75 N 0.00 -0.68 -3.94 5.60 -0.00 -0.41 -3.41 115.15 112.31 2k93 h HIS 75 Ca 0.27 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 60.12 2k93 h HIS 75 Cb 1.96 0.26 0.07 0.00 -0.00 0.00 0.00 27.41 29.71 2k93 h HIS 75 CO 0.00 -0.33 0.58 1.14 -0.00 0.00 0.00 177.93 179.32 2k93 s GLN 76 N -4.38 4.00 0.00 5.26 -2.07 -0.20 -5.21 119.66 117.06 2k93 s GLN 76 Ca -0.09 2.07 0.25 0.00 -1.82 0.00 0.00 55.36 55.78 2k93 s GLN 76 Cb 0.02 -2.75 0.48 0.00 -1.09 0.00 0.00 33.01 29.67 2k93 s GLN 76 CO 0.29 -0.44 1.42 0.00 -1.32 0.00 0.00 175.29 175.25