#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 1.82 0.11 6.66 -4.23 -1.26 -5.04 115.64 113.70 2k93 s THR 2 Ca 0.00 -1.44 -0.27 0.00 -1.18 0.00 0.00 61.69 58.80 2k93 s THR 2 Cb 0.00 -1.61 -0.09 0.00 1.34 0.00 0.00 72.50 72.14 2k93 s THR 2 CO 0.00 0.10 1.45 0.40 -0.54 0.00 0.00 174.62 176.03 2k93 h ILE 3 N 4.16 0.00 -0.90 2.99 1.08 -1.99 0.13 117.51 122.98 2k93 h ILE 3 Ca -0.46 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.24 2k93 h ILE 3 Cb 1.17 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.76 2k93 h ILE 3 CO 0.41 0.00 0.00 -0.08 -0.69 0.00 0.00 178.15 177.80 2k93 h GLU 4 N -0.33 0.05 -0.92 2.37 4.22 -1.93 0.50 114.58 118.55 2k93 h GLU 4 Ca 0.06 -0.00 0.28 0.00 0.08 0.00 0.00 59.36 59.77 2k93 h GLU 4 Cb 0.49 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.56 2k93 h GLU 4 CO -0.49 0.04 0.10 -0.85 -2.18 0.00 0.00 179.01 175.63 2k93 n GLU 5 N -5.43 -0.07 0.05 1.92 0.28 0.44 0.19 120.64 118.02 2k93 n GLU 5 Ca 0.19 1.35 -0.19 0.00 -0.16 0.00 0.00 57.16 58.35 2k93 n GLU 5 Cb 0.62 -2.20 -0.09 0.00 1.43 0.00 0.00 31.44 31.20 2k93 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k93 h ARG 6 N 0.00 0.65 0.59 3.44 3.08 0.05 -3.02 114.38 119.17 2k93 h ARG 6 Ca 0.59 -0.70 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2k93 h ARG 6 Cb 1.31 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 2k93 h ARG 6 CO -0.83 1.29 -0.46 0.28 -1.07 0.00 0.00 179.97 179.17 2k93 h VAL 7 N 0.37 0.00 -1.03 2.04 2.07 0.28 0.16 116.25 120.14 2k93 h VAL 7 Ca -0.12 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.68 2k93 h VAL 7 Cb 1.67 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.31 2k93 h VAL 7 CO 0.20 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.90 2k93 h LYS 8 N -1.02 0.43 0.58 1.57 1.63 -0.10 0.99 116.57 120.65 2k93 h LYS 8 Ca -0.08 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2k93 h LYS 8 Cb 0.85 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2k93 h LYS 8 CO 0.01 0.28 -0.28 -0.22 -3.45 0.00 0.00 179.45 175.80 2k93 h LYS 9 N 0.44 -0.75 -0.50 1.90 1.63 -1.15 -1.96 116.57 116.18 2k93 h LYS 9 Ca 0.68 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 60.62 2k93 h LYS 9 Cb 1.49 0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 33.21 2k93 h LYS 9 CO -0.48 -0.50 0.02 0.82 -3.45 0.00 0.00 179.45 175.86 2k93 h ILE 10 N -0.82 0.63 -1.04 2.00 1.08 0.88 0.25 117.51 120.48 2k93 h ILE 10 Ca -0.08 -0.05 0.32 0.00 -0.39 0.00 0.00 64.86 64.66 2k93 h ILE 10 Cb 0.60 0.48 -0.14 0.00 -3.07 0.00 0.00 36.82 34.69 2k93 h ILE 10 CO 0.13 0.03 0.61 0.40 -0.69 0.00 0.00 178.15 178.63 2k93 h ILE 11 N 0.14 0.32 -0.26 -0.67 1.08 0.10 1.63 117.51 119.86 2k93 h ILE 11 Ca 0.25 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 64.50 2k93 h ILE 11 Cb 0.38 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 2k93 h ILE 11 CO -0.40 0.06 -0.32 1.23 -0.69 0.00 0.00 178.15 178.03 2k93 h GLY 12 N 0.33 0.59 2.00 5.37 0.00 0.28 -2.46 103.07 109.18 2k93 h GLY 12 Ca 0.72 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2k93 h GLY 12 CO -0.55 0.48 0.00 1.46 0.00 0.00 0.00 176.54 177.93 2k93 h GLN 13 N 0.46 0.00 -0.14 4.80 7.50 0.26 0.70 115.11 128.69 2k93 h GLN 13 Ca 0.06 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.08 2k93 h GLN 13 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.30 2k93 h GLN 13 CO 0.06 0.00 -0.47 0.37 -1.50 0.00 0.00 178.83 177.30 2k93 h GLN 14 N 0.00 0.36 0.00 1.46 4.15 0.65 -3.42 115.11 118.31 2k93 h GLN 14 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2k93 h GLN 14 Cb 0.87 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.57 2k93 h GLN 14 CO 0.00 0.76 0.00 1.47 -1.93 0.00 0.00 178.83 179.13 2k93 n LEU 15 N -3.98 0.31 0.00 -2.39 -0.00 -1.16 -4.33 117.00 105.44 2k93 n LEU 15 Ca -0.02 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 2k93 n LEU 15 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 2k93 n LEU 15 CO 0.44 -0.66 0.00 0.61 -0.00 0.00 0.00 177.39 177.78 2k93 n GLY 16 N 2.61 0.40 3.69 1.47 0.00 0.24 -5.07 105.19 108.53 2k93 n GLY 16 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2k93 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k93 s VAL 17 N 0.00 0.00 0.00 1.61 0.11 -1.19 -5.05 120.40 115.88 2k93 s VAL 17 Ca 0.00 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 2k93 s VAL 17 Cb 0.00 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 2k93 s VAL 17 CO 0.00 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.94 2k93 n LYS 18 N -0.48 3.70 -0.02 1.54 3.00 -1.26 -4.53 118.16 120.10 2k93 n LYS 18 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.23 2k93 n LYS 18 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.61 2k93 n LYS 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2k93 n GLN 19 N 0.00 0.12 0.24 1.64 3.00 -1.26 -4.52 117.38 116.59 2k93 n GLN 19 Ca 0.00 0.03 0.15 0.00 -0.01 0.00 0.00 57.00 57.18 2k93 n GLN 19 Cb 0.00 -0.99 0.57 0.00 0.00 0.00 0.00 30.24 29.81 2k93 n GLN 19 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2k93 h GLU 20 N -0.05 0.00 0.00 -1.09 4.11 -1.97 -1.26 114.58 114.32 2k93 h GLU 20 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2k93 h GLU 20 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k93 h GLU 20 CO -0.03 0.00 -0.14 0.39 0.07 0.00 0.00 179.01 179.29 2k93 n GLU 21 N -2.90 0.21 -2.75 1.06 1.02 -1.26 -3.77 120.64 112.25 2k93 n GLU 21 Ca 0.02 0.14 -0.04 0.00 -0.02 0.00 0.00 57.16 57.26 2k93 n GLU 21 Cb 0.33 -1.72 0.04 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.07 1.21 -0.89 2.62 0.31 -0.81 -4.95 118.33 113.75 2k93 n VAL 22 Ca 0.05 -3.03 -0.37 0.00 -0.01 0.00 0.00 64.34 60.99 2k93 n VAL 22 Cb 0.41 0.98 0.08 0.00 -0.91 0.00 0.00 33.84 34.40 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 -0.40 0.00 -1.32 2.52 -2.24 -0.54 -4.47 114.28 107.83 2k93 n THR 23 Ca 0.09 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 2k93 n THR 23 Cb 0.81 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 2k93 n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k93 n ASN 24 N 1.77 2.11 0.00 3.42 3.02 -1.26 -1.06 115.26 123.26 2k93 n ASN 24 Ca -0.01 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 2k93 n ASN 24 Cb 0.69 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2k93 n ASN 24 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2k93 n ASN 25 N 11.87 0.00 -3.65 6.41 5.15 -1.26 -4.51 115.26 129.27 2k93 n ASN 25 Ca 0.46 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.98 2k93 n ASN 25 Cb 0.44 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.63 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k93 n ALA 26 N 0.00 -2.96 -1.49 5.20 0.00 -0.23 -4.45 120.51 116.58 2k93 n ALA 26 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 2k93 n ALA 26 Cb 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.05 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 1.31 0.02 0.07 0.00 7.64 -1.26 -2.78 113.62 118.62 2k93 n SER 27 Ca 0.16 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.01 2k93 n SER 27 Cb 0.10 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.84 -0.61 0.25 1.43 3.01 -1.06 -4.24 117.46 114.40 2k93 n PHE 28 Ca 0.01 0.11 0.14 0.00 1.01 0.00 0.00 57.45 58.72 2k93 n PHE 28 Cb 0.02 0.16 0.48 0.00 -0.01 0.00 0.00 39.48 40.14 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 0.09 0.00 -4.37 2.07 -1.83 1.91 116.25 114.12 2k93 h VAL 29 Ca 0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2k93 h VAL 29 Cb 0.11 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2k93 h VAL 29 CO 0.00 0.04 -1.60 -0.62 0.02 0.00 0.00 177.57 175.41 2k93 n GLU 30 N -3.13 0.40 0.00 1.57 -0.58 -1.26 -3.65 120.64 113.99 2k93 n GLU 30 Ca 0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2k93 n GLU 30 Cb 0.40 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2k93 n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2k93 n ASP 31 N -1.97 0.00 -1.72 1.62 2.03 -1.05 -4.70 116.55 110.76 2k93 n ASP 31 Ca -0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.17 2k93 n ASP 31 Cb 0.48 -0.16 0.13 0.00 -0.72 0.00 0.00 41.12 40.85 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 -1.96 5.18 -2.17 -2.67 4.77 0.22 -4.85 117.00 115.53 2k93 n LEU 32 Ca 0.00 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 2k93 n LEU 32 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2k93 n LEU 32 CO 0.00 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2k93 n GLY 33 N -0.42 -0.40 2.83 -0.72 0.00 0.54 -2.71 105.19 104.30 2k93 n GLY 33 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.13 -2.63 -2.90 4.61 0.00 0.46 -4.67 120.51 113.26 2k93 n ALA 34 Ca 0.00 1.23 -0.21 0.00 0.00 0.00 0.00 53.44 54.46 2k93 n ALA 34 Cb 0.40 -2.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 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 -0.57 6.12 0.02 0.00 -1.08 -1.10 -4.93 116.67 115.13 2k93 s ASP 35 Ca -0.14 -0.02 -0.27 0.00 -0.52 0.00 0.00 52.55 51.60 2k93 s ASP 35 Cb 0.01 -1.71 -0.15 0.00 -1.46 0.00 0.00 42.92 39.61 2k93 s ASP 35 CO 0.46 -0.09 1.15 0.28 0.52 0.00 0.00 175.17 177.49 2k93 h SER 36 N 1.22 -0.77 -1.13 -0.34 0.02 -1.94 -1.09 113.55 109.53 2k93 h SER 36 Ca -0.51 0.01 0.33 0.00 -0.84 0.00 0.00 61.79 60.78 2k93 h SER 36 Cb 1.23 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.93 2k93 h SER 36 CO 0.60 -0.40 0.86 -0.07 -1.14 0.00 0.00 176.83 176.68 2k93 h LEU 37 N -1.20 0.00 0.42 5.07 3.38 -1.96 1.50 115.31 122.53 2k93 h LEU 37 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2k93 h LEU 37 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k93 h LEU 37 CO 0.15 0.00 -0.20 0.44 0.09 0.00 0.00 178.44 178.92 2k93 h ASP 38 N 0.00 -0.48 0.38 -0.43 5.19 -1.67 1.52 116.42 120.92 2k93 h ASP 38 Ca 0.54 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 2k93 h ASP 38 Cb 2.24 0.12 0.00 0.00 0.18 0.00 0.00 39.33 41.88 2k93 h ASP 38 CO -0.01 -0.09 0.00 0.74 -3.12 0.00 0.00 179.24 176.77 2k93 h THR 39 N -1.08 0.00 0.11 0.35 2.02 0.43 -1.13 112.91 113.61 2k93 h THR 39 Ca -0.06 -0.19 -0.33 0.00 0.77 0.00 0.00 66.41 66.61 2k93 h THR 39 Cb 0.43 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2k93 h THR 39 CO 0.10 0.00 -1.75 0.58 0.37 0.00 0.00 175.52 174.82 2k93 h VAL 40 N 0.00 0.78 0.00 3.16 2.07 0.20 -3.29 116.25 119.17 2k93 h VAL 40 Ca 0.00 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.16 2k93 h VAL 40 Cb 0.19 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2k93 h VAL 40 CO 0.00 0.77 -0.05 -0.33 0.02 0.00 0.00 177.57 177.97 2k93 h GLU 41 N -0.16 0.00 0.00 1.57 4.39 0.28 0.11 114.58 120.77 2k93 h GLU 41 Ca -0.38 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.23 2k93 h GLU 41 Cb 1.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 2k93 h GLU 41 CO 0.05 0.05 -0.42 1.25 -1.16 0.00 0.00 179.01 178.78 2k93 h LEU 42 N 0.00 0.00 0.00 1.33 5.85 -1.34 1.44 115.31 122.59 2k93 h LEU 42 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2k93 h LEU 42 Cb 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2k93 h LEU 42 CO 0.01 0.42 -0.94 0.58 -0.34 0.00 0.00 178.44 178.17 2k93 h VAL 43 N 0.00 0.70 0.05 1.05 2.07 -0.91 -3.03 116.25 116.17 2k93 h VAL 43 Ca -0.00 -2.11 -0.38 0.00 0.82 0.00 0.00 66.70 65.02 2k93 h VAL 43 Cb 1.20 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 2k93 h VAL 43 CO 0.05 0.40 -2.28 0.23 0.02 0.00 0.00 177.57 175.99 2k93 n MET 44 N -3.06 0.69 0.05 1.57 2.81 -0.36 -3.27 117.12 115.54 2k93 n MET 44 Ca -0.03 0.20 -0.12 0.00 -1.81 0.00 0.00 57.70 55.94 2k93 n MET 44 Cb 0.78 -1.59 -0.07 0.00 -0.71 0.00 0.00 33.22 31.63 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 -0.02 -0.04 -0.03 3.04 0.00 0.19 1.00 119.26 123.40 2k93 h ALA 45 Ca -0.52 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2k93 h ALA 45 Cb 1.93 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2k93 h ALA 45 CO -0.04 -0.53 -0.32 -0.07 0.00 0.00 0.00 179.25 178.29 2k93 h LEU 46 N -0.06 0.06 -0.16 0.00 3.38 -1.69 0.20 115.31 117.04 2k93 h LEU 46 Ca 0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2k93 h LEU 46 Cb 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k93 h LEU 46 CO -0.02 0.38 -0.24 -0.33 0.09 0.00 0.00 178.44 178.33 2k93 h GLU 47 N 0.05 0.44 0.00 1.13 5.08 -1.29 -0.37 114.58 119.63 2k93 h GLU 47 Ca 0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2k93 h GLU 47 Cb 0.60 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k93 h GLU 47 CO 0.04 0.85 0.00 -1.91 -1.00 0.00 0.00 179.01 177.00 2k93 n GLU 48 N -4.44 0.21 -0.01 2.33 0.00 0.34 -0.29 120.64 118.79 2k93 n GLU 48 Ca -0.06 0.26 -0.00 0.00 0.00 0.00 0.00 57.16 57.36 2k93 n GLU 48 Cb 0.43 -1.79 -0.00 0.00 0.00 0.00 0.00 31.44 30.08 2k93 n GLU 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2k93 h GLU 49 N 0.00 0.00 -0.09 5.31 4.81 -0.41 -3.44 114.58 120.76 2k93 h GLU 49 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2k93 h GLU 49 Cb 0.59 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.68 2k93 h GLU 49 CO 0.00 0.00 -0.89 1.19 -0.73 0.00 0.00 179.01 178.58 2k93 n PHE 50 N -2.34 0.31 -3.99 0.92 3.72 -0.21 -5.01 117.46 110.86 2k93 n PHE 50 Ca -0.00 -1.06 -0.40 0.00 -0.05 0.00 0.00 57.45 55.94 2k93 n PHE 50 Cb 0.01 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.37 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 -0.14 -4.17 -0.03 4.37 2.03 0.61 -4.85 116.55 114.36 2k93 n ASP 51 Ca 0.12 -1.18 0.02 0.00 0.52 0.00 0.00 54.79 54.27 2k93 n ASP 51 Cb 0.97 -1.54 -0.13 0.00 -0.72 0.00 0.00 41.12 39.71 2k93 n ASP 51 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2k93 n THR 52 N -4.26 0.40 -3.14 5.18 -2.24 -0.93 -4.91 114.28 104.38 2k93 n THR 52 Ca -0.17 -0.48 -0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2k93 n THR 52 Cb 0.58 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2k93 n THR 52 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k93 n GLU 53 N -2.26 -0.66 -2.73 -0.78 0.28 -1.26 -4.85 120.64 108.38 2k93 n GLU 53 Ca -0.11 0.99 -0.42 0.00 -0.16 0.00 0.00 57.16 57.46 2k93 n GLU 53 Cb 0.65 -1.25 -0.04 0.00 1.43 0.00 0.00 31.44 32.23 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 -0.87 4.74 0.00 3.84 2.07 -1.26 -5.01 121.20 124.70 2k93 s ILE 54 Ca -0.00 2.04 0.00 0.00 -1.41 0.00 0.00 60.65 61.28 2k93 s ILE 54 Cb 0.00 -4.31 0.00 0.00 0.13 0.00 0.00 42.46 38.28 2k93 s ILE 54 CO 0.06 0.22 0.00 -0.81 -1.91 0.00 0.00 174.94 172.50 2k93 n PRO 55 N 3.48 0.04 0.02 3.50 -0.04 -1.26 -4.42 135.00 136.33 2k93 n PRO 55 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2k93 n PRO 55 Cb 0.50 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.91 0.26 0.09 3.54 -0.08 -1.26 -3.61 116.55 113.58 2k93 n ASP 56 Ca 0.00 0.07 -0.22 0.00 -1.51 0.00 0.00 54.79 53.13 2k93 n ASP 56 Cb 0.00 1.53 -0.13 0.00 2.34 0.00 0.00 41.12 44.86 2k93 n ASP 56 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2k93 h GLU 57 N 0.00 0.58 0.00 -0.67 4.11 -2.02 -3.19 114.58 113.38 2k93 h GLU 57 Ca 0.00 -0.79 0.00 0.00 0.07 0.00 0.00 59.36 58.64 2k93 h GLU 57 Cb 0.99 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k93 h GLU 57 CO 0.00 1.36 0.00 0.93 0.07 0.00 0.00 179.01 181.37 2k93 h GLU 58 N 0.18 0.00 -0.62 1.06 4.39 -1.96 -3.07 114.58 114.56 2k93 h GLU 58 Ca -0.19 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 2k93 h GLU 58 Cb 1.88 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.51 2k93 h GLU 58 CO 0.23 0.00 0.04 0.00 -1.16 0.00 0.00 179.01 178.12 2k93 h ALA 59 N 2.29 0.83 0.05 3.43 0.00 -1.61 -0.64 119.26 123.61 2k93 h ALA 59 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k93 h ALA 59 Cb 0.65 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2k93 h ALA 59 CO 0.00 0.64 -0.21 0.93 0.00 0.00 0.00 179.25 180.61 2k93 h GLU 60 N 0.97 -0.35 0.00 0.00 5.08 -1.60 1.60 114.58 120.29 2k93 h GLU 60 Ca 0.18 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2k93 h GLU 60 Cb 0.51 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k93 h GLU 60 CO 0.02 -0.24 0.00 1.17 -1.00 0.00 0.00 179.01 178.97 2k93 n LYS 61 N -5.34 0.38 -0.99 2.33 4.81 -1.15 -2.15 118.16 116.05 2k93 n LYS 61 Ca -0.06 0.07 0.04 0.00 -0.87 0.00 0.00 58.31 57.50 2k93 n LYS 61 Cb 0.25 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 33.94 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 -1.22 1.41 0.79 3.15 5.41 0.73 -4.76 119.36 124.87 2k93 n ILE 62 Ca 0.11 -2.47 0.01 0.00 1.00 0.00 0.00 62.75 61.41 2k93 n ILE 62 Cb 0.14 0.20 0.07 0.00 -0.71 0.00 0.00 39.64 39.34 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 -0.52 0.43 -2.66 1.39 5.66 0.51 -4.79 114.28 114.30 2k93 n THR 63 Ca 0.15 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2k93 n THR 63 Cb 0.86 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.08 0.00 -0.03 1.09 -2.24 -1.26 -2.58 114.28 109.33 2k93 n THR 64 Ca 0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 2k93 n THR 64 Cb 0.37 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.23 0.17 2.28 0.31 -1.12 -4.52 118.33 116.68 2k93 n VAL 65 Ca 0.00 0.16 0.10 0.00 -0.01 0.00 0.00 64.34 64.60 2k93 n VAL 65 Cb 0.00 -1.91 0.56 0.00 -0.91 0.00 0.00 33.84 31.58 2k93 n VAL 65 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2k93 h GLN 66 N -0.51 0.00 -0.02 5.55 5.75 -1.85 0.32 115.11 124.35 2k93 h GLN 66 Ca -0.09 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.28 2k93 h GLN 66 Cb 0.70 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 2k93 h GLN 66 CO -0.05 0.00 -0.60 0.00 -2.65 0.00 0.00 178.83 175.53 2k93 h ALA 67 N 1.81 0.97 -0.07 3.38 0.00 -1.91 0.72 119.26 124.15 2k93 h ALA 67 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2k93 h ALA 67 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k93 h ALA 67 CO 0.00 0.74 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2k93 n ALA 68 N -2.44 2.57 -0.01 0.00 0.00 0.11 -2.23 120.51 118.51 2k93 n ALA 68 Ca -0.02 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.04 2k93 n ALA 68 Cb 0.60 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 0.17 0.01 0.00 5.41 -0.80 -3.93 119.36 120.18 2k93 n ILE 69 Ca 0.18 -0.24 -0.14 0.00 1.00 0.00 0.00 62.75 63.55 2k93 n ILE 69 Cb 0.28 -0.02 -0.14 0.00 -0.71 0.00 0.00 39.64 39.04 2k93 n ILE 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k93 h ASP 70 N 0.00 0.19 0.24 4.38 3.32 -0.89 -2.70 116.42 120.97 2k93 h ASP 70 Ca -0.07 -0.37 -0.27 0.00 0.02 0.00 0.00 57.03 56.34 2k93 h ASP 70 Cb 0.73 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.23 2k93 h ASP 70 CO 0.00 1.33 -1.14 0.22 -1.72 0.00 0.00 179.24 177.93 2k93 h TYR 71 N 0.03 0.84 -0.06 4.55 3.20 -1.69 -3.26 116.97 120.59 2k93 h TYR 71 Ca -0.30 -0.51 -0.19 0.00 3.14 0.00 0.00 58.73 60.87 2k93 h TYR 71 Cb 2.01 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 40.20 2k93 h TYR 71 CO 0.03 1.36 -0.77 0.82 -1.64 0.00 0.00 178.16 177.96 2k93 h ILE 72 N 0.25 1.40 -0.57 1.81 1.08 -1.72 -2.90 117.51 116.86 2k93 h ILE 72 Ca -0.15 -2.23 0.17 0.00 -0.39 0.00 0.00 64.86 62.26 2k93 h ILE 72 Cb 1.81 2.19 -0.02 0.00 -3.07 0.00 0.00 36.82 37.73 2k93 h ILE 72 CO 0.21 0.67 0.59 -1.13 -0.69 0.00 0.00 178.15 177.80 2k93 h ASN 73 N 0.24 0.00 0.00 1.72 -0.73 -1.52 0.53 115.58 115.82 2k93 h ASN 73 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2k93 h ASN 73 Cb 1.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.94 2k93 h ASN 73 CO 0.13 0.00 0.25 1.23 -0.37 0.00 0.00 177.43 178.67 2k93 h GLY 74 N 0.00 0.00 0.61 1.57 0.00 -1.60 -2.09 103.07 101.56 2k93 h GLY 74 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2k93 h GLY 74 CO -0.00 0.00 -0.42 0.84 0.00 0.00 0.00 176.54 176.96 2k93 h HIS 75 N 0.00 -1.13 -3.32 5.60 -0.00 -0.16 -3.41 115.15 112.72 2k93 h HIS 75 Ca 0.00 -0.01 -0.53 0.00 -0.00 0.00 0.00 60.37 59.83 2k93 h HIS 75 Cb 0.50 0.42 0.09 0.00 -0.00 0.00 0.00 27.41 28.41 2k93 h HIS 75 CO 0.00 -0.61 0.89 0.00 -0.00 0.00 0.00 177.93 178.21 2k93 n GLN 76 N -5.04 2.73 0.00 5.26 10.64 -0.79 -5.21 117.38 124.98 2k93 n GLN 76 Ca -0.12 0.97 0.00 0.00 -1.83 0.00 0.00 57.00 56.02 2k93 n GLN 76 Cb 0.42 -2.76 0.00 0.00 -0.86 0.00 0.00 30.24 27.04 2k93 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23