#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u96 n THR 2 N 0.00 1.26 0.04 3.17 -1.04 -1.26 -4.75 114.28 111.71 1u96 n THR 2 Ca 0.00 0.20 -0.16 0.00 -2.04 0.00 0.00 64.05 62.05 1u96 n THR 2 Cb 0.00 -2.19 -0.14 0.00 -1.82 0.00 0.00 70.33 66.18 1u96 n THR 2 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1u96 h GLU 3 N -0.81 0.22 -6.50 -2.82 4.81 -2.12 -3.47 114.58 103.89 1u96 h GLU 3 Ca 0.00 -0.38 -0.49 0.00 -0.13 0.00 0.00 59.36 58.37 1u96 h GLU 3 Cb 0.81 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1u96 h GLU 3 CO 0.00 1.05 -0.18 0.95 -0.73 0.00 0.00 179.01 180.10 1u96 s THR 4 N -2.61 5.09 0.69 0.32 -4.23 -1.26 -5.09 115.64 108.55 1u96 s THR 4 Ca -0.11 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 59.96 1u96 s THR 4 Cb 0.07 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1u96 s THR 4 CO 0.84 -0.49 1.06 1.51 -0.54 0.00 0.00 174.62 176.99 1u96 s ASP 5 N -3.80 5.54 -0.56 3.99 1.47 -1.26 -3.72 116.67 118.32 1u96 s ASP 5 Ca 0.41 1.45 -0.26 0.00 1.18 0.00 0.00 52.55 55.33 1u96 s ASP 5 Cb -0.10 -2.36 -0.04 0.00 -0.34 0.00 0.00 42.92 40.08 1u96 s ASP 5 CO 0.35 -1.32 2.12 -0.75 0.68 0.00 0.00 175.17 176.25 1u96 s LYS 6 N -5.14 2.37 0.14 2.11 2.36 -1.26 -4.70 119.74 115.62 1u96 s LYS 6 Ca 0.57 0.99 -0.31 0.00 -2.55 0.00 0.00 55.97 54.67 1u96 s LYS 6 Cb -0.13 -4.48 -0.10 0.00 -1.05 0.00 0.00 37.83 32.07 1u96 s LYS 6 CO 0.54 -3.00 1.60 0.15 1.55 0.00 0.00 175.35 176.20 1u96 s LYS 7 N 7.63 4.20 0.08 4.03 1.02 -1.26 -4.83 119.74 130.61 1u96 s LYS 7 Ca 0.82 2.38 0.00 0.00 0.02 0.00 0.00 55.97 59.18 1u96 s LYS 7 Cb -0.15 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1u96 s LYS 7 CO 0.23 -0.65 0.00 1.04 -0.92 0.00 0.00 175.35 175.05 1u96 n GLN 8 N 4.40 0.00 0.28 1.68 6.02 -1.26 -4.83 117.38 123.68 1u96 n GLN 8 Ca 0.15 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.28 1u96 n GLN 8 Cb 0.39 -0.08 0.82 0.00 1.02 0.00 0.00 30.24 32.39 1u96 n GLN 8 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1u96 h GLU 9 N 0.00 0.00 -6.71 -1.09 4.81 -2.03 -3.43 114.58 106.14 1u96 h GLU 9 Ca 0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 1u96 h GLU 9 Cb 0.11 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.53 1u96 h GLU 9 CO 0.00 0.07 0.64 -0.65 -0.73 0.00 0.00 179.01 178.34 1u96 s GLN 10 N -4.24 4.40 0.00 1.92 -1.52 -1.26 -4.92 119.66 114.04 1u96 s GLN 10 Ca -0.03 2.05 0.22 0.00 -1.95 0.00 0.00 55.36 55.65 1u96 s GLN 10 Cb 0.13 -3.18 0.52 0.00 -0.22 0.00 0.00 33.01 30.26 1u96 s GLN 10 CO 0.55 -0.22 1.44 0.39 -0.25 0.00 0.00 175.29 177.21 1u96 n GLU 11 N 2.36 2.25 -1.98 2.91 -0.58 -1.26 -4.90 120.64 119.44 1u96 n GLU 11 Ca 0.05 -1.88 -0.41 0.00 -0.42 0.00 0.00 57.16 54.49 1u96 n GLU 11 Cb 0.43 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 1u96 n GLU 11 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1u96 s ASN 12 N -1.52 5.66 0.00 1.62 2.47 -1.26 -4.61 114.94 117.30 1u96 s ASN 12 Ca 0.36 1.07 0.00 0.00 0.42 0.00 0.00 52.86 54.71 1u96 s ASN 12 Cb 0.21 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1u96 s ASN 12 CO 0.30 -1.94 0.00 1.41 -3.72 0.00 0.00 177.10 173.15 1u96 n HIS 13 N 11.20 0.00 0.00 0.43 8.25 -1.26 -5.03 115.22 128.80 1u96 n HIS 13 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1u96 n HIS 13 Cb 0.48 0.47 0.00 0.00 1.12 0.00 0.00 29.99 32.07 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u96 n ALA 14 N -2.47 1.41 -2.61 -1.41 0.00 -1.26 -5.07 120.51 109.11 1u96 n ALA 14 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1u96 n ALA 14 Cb 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 1u96 n ALA 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1u96 s GLU 15 N -1.22 3.18 -0.23 0.00 0.41 -1.26 -5.04 118.70 114.54 1u96 s GLU 15 Ca 0.00 -0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 53.69 1u96 s GLU 15 Cb 0.00 -3.81 0.07 0.00 -1.78 0.00 0.00 34.13 28.60 1u96 s GLU 15 CO 0.00 -0.59 0.02 0.00 -0.49 0.00 0.00 175.26 174.20 1u96 n GLU 17 N 4.90 0.34 -4.34 0.00 -0.58 -1.26 -4.94 120.64 114.75 1u96 n GLU 17 Ca -0.09 0.15 -0.19 0.00 -0.42 0.00 0.00 57.16 56.62 1u96 n GLU 17 Cb 0.45 -1.07 -0.10 0.00 -0.57 0.00 0.00 31.44 30.15 1u96 n GLU 17 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1u96 s ASP 18 N -6.41 2.57 -0.23 1.62 2.15 -1.26 -4.37 116.67 110.74 1u96 s ASP 18 Ca -0.22 -1.01 -0.04 0.00 0.43 0.00 0.00 52.55 51.71 1u96 s ASP 18 Cb 0.08 -0.14 0.02 0.00 -0.30 0.00 0.00 42.92 42.58 1u96 s ASP 18 CO 0.28 -0.16 0.08 1.17 -0.17 0.00 0.00 175.17 176.37 1u96 n LYS 19 N -0.35 -3.46 -0.07 4.34 4.81 -1.26 -4.93 118.16 117.24 1u96 n LYS 19 Ca -0.08 2.75 -0.04 0.00 -0.87 0.00 0.00 58.31 60.07 1u96 n LYS 19 Cb 0.60 -4.65 -0.01 0.00 0.02 0.00 0.00 35.03 30.99 1u96 n LYS 19 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1u96 h PRO 20 N 3.57 0.00 0.00 1.64 0.13 -1.93 -3.48 132.00 131.92 1u96 h PRO 20 Ca -0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1u96 h PRO 20 Cb 0.51 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.54 1u96 h PRO 20 CO 0.06 0.00 0.07 0.36 -0.23 0.00 0.00 178.00 178.25 1u96 n LYS 21 N -4.46 0.24 -1.54 0.86 2.85 -1.26 -5.02 118.16 109.82 1u96 n LYS 21 Ca -0.07 -0.81 -0.13 0.00 -1.05 0.00 0.00 58.31 56.25 1u96 n LYS 21 Cb 0.24 -0.17 -0.10 0.00 -0.65 0.00 0.00 35.03 34.36 1u96 n LYS 21 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1u96 n PRO 22 N 0.18 0.30 -2.81 -1.58 -0.02 -1.26 -4.63 135.00 125.18 1u96 n PRO 22 Ca -0.11 -1.18 -0.00 0.00 -2.02 0.00 0.00 63.50 60.19 1u96 n PRO 22 Cb 0.73 -3.61 0.01 0.00 -0.02 0.00 0.00 33.50 30.61 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u96 n VAL 25 N -0.28 0.00 -1.74 0.00 3.14 -1.26 -5.06 118.33 113.13 1u96 n VAL 25 Ca 0.00 -0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1u96 n VAL 25 Cb 0.00 0.16 -0.03 0.00 -1.06 0.00 0.00 33.84 32.91 1u96 n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1u96 n LYS 27 N 5.27 0.00 0.13 0.00 5.02 -1.26 -4.75 118.16 122.57 1u96 n LYS 27 Ca 0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.34 1u96 n LYS 27 Cb 0.38 -0.11 -0.08 0.00 -0.02 0.00 0.00 35.03 35.20 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1u96 h PRO 28 N 0.00 -0.36 -0.79 1.97 0.13 -1.99 -1.45 132.00 129.52 1u96 h PRO 28 Ca 0.00 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 1u96 h PRO 28 Cb 0.12 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.30 1u96 h PRO 28 CO 0.00 -0.01 0.35 0.93 -0.23 0.00 0.00 178.00 179.04 1u96 h GLU 29 N -0.83 1.16 -0.31 0.86 4.39 -1.98 -1.49 114.58 116.38 1u96 h GLU 29 Ca -0.04 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 1u96 h GLU 29 Cb 0.51 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1u96 h GLU 29 CO 0.06 0.92 -0.12 -0.22 -1.16 0.00 0.00 179.01 178.49 1u96 h LYS 30 N 1.13 0.52 -0.19 2.33 3.11 -1.85 -1.86 116.57 119.76 1u96 h LYS 30 Ca 0.27 -0.15 -0.06 0.00 -2.81 0.00 0.00 60.65 57.89 1u96 h LYS 30 Cb 0.17 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1u96 h LYS 30 CO -0.03 0.64 -0.13 1.49 -2.81 0.00 0.00 179.45 178.61 1u96 h GLU 31 N 0.48 0.42 -0.50 1.90 4.81 -0.74 -1.44 114.58 119.51 1u96 h GLU 31 Ca 0.09 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1u96 h GLU 31 Cb 0.50 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1u96 h GLU 31 CO 0.03 0.75 0.28 0.93 -0.73 0.00 0.00 179.01 180.27 1u96 h GLU 32 N 0.10 0.70 -0.61 1.92 5.08 -1.15 -0.40 114.58 120.22 1u96 h GLU 32 Ca 0.04 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1u96 h GLU 32 Cb 0.65 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1u96 h GLU 32 CO 0.04 0.54 0.24 -0.09 -1.00 0.00 0.00 179.01 178.73 1u96 h ARG 33 N 0.67 0.91 -0.70 2.33 2.43 -1.33 -1.83 114.38 116.85 1u96 h ARG 33 Ca 0.18 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1u96 h ARG 33 Cb 0.04 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1u96 h ARG 33 CO -0.03 0.78 0.17 0.22 -1.51 0.00 0.00 179.97 179.60 1u96 h ASP 34 N 0.84 1.06 -0.39 -3.80 1.82 -0.97 -2.10 116.42 112.88 1u96 h ASP 34 Ca 0.20 -0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 1u96 h ASP 34 Cb 0.21 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 1u96 h ASP 34 CO -0.02 1.01 0.14 0.74 -1.61 0.00 0.00 179.24 179.50 1u96 h THR 35 N 1.06 1.20 -0.07 2.25 2.02 -0.80 -0.94 112.91 117.64 1u96 h THR 35 Ca 0.22 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1u96 h THR 35 Cb 0.36 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1u96 h THR 35 CO 0.00 0.23 0.04 0.00 0.37 0.00 0.00 175.52 176.16 1u96 h ILE 37 N 0.08 1.13 0.00 0.00 2.04 -1.28 0.76 117.51 120.24 1u96 h ILE 37 Ca 0.03 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 1u96 h ILE 37 Cb -0.00 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1u96 h ILE 37 CO -0.01 0.15 -0.62 0.25 0.00 0.00 0.00 178.15 177.92 1u96 h LEU 38 N 0.54 0.00 0.05 1.44 5.85 -0.64 -3.18 115.31 119.38 1u96 h LEU 38 Ca 0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1u96 h LEU 38 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1u96 h LEU 38 CO -0.02 0.62 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.41 1u96 h PHE 39 N 0.00 -0.07 0.00 1.25 -1.00 -0.06 -3.45 116.94 113.61 1u96 h PHE 39 Ca -0.01 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1u96 h PHE 39 Cb 1.16 0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1u96 h PHE 39 CO 0.00 -0.04 -0.05 0.27 -1.61 0.00 0.00 178.31 176.88 1u96 n ASN 40 N -2.73 0.00 -3.51 2.17 6.94 -0.67 -5.11 115.26 112.36 1u96 n ASN 40 Ca -0.01 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 1u96 n ASN 40 Cb 0.03 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1u96 n ASN 40 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u96 n GLY 41 N 0.00 -1.96 4.39 4.83 0.00 0.17 -4.20 105.19 108.42 1u96 n GLY 41 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1u96 n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u96 n GLN 42 N 0.00 0.00 -2.67 1.61 7.27 -1.26 -4.51 117.38 117.82 1u96 n GLN 42 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 1u96 n GLN 42 Cb 0.00 -1.67 0.04 0.00 2.41 0.00 0.00 30.24 31.02 1u96 n GLN 42 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1u96 n ASP 43 N 0.16 -1.44 0.08 1.69 5.75 -1.26 -4.97 116.55 116.55 1u96 n ASP 43 Ca 0.00 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1u96 n ASP 43 Cb 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 1u96 n ASP 43 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1u96 n SER 44 N 2.40 -1.39 -0.25 -1.12 2.88 -1.26 -4.95 113.62 109.93 1u96 n SER 44 Ca 0.10 0.48 0.04 0.00 -1.33 0.00 0.00 58.87 58.16 1u96 n SER 44 Cb 0.66 1.54 0.08 0.00 -0.75 0.00 0.00 64.21 65.74 1u96 n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u96 n GLU 45 N -2.91 2.68 0.00 -1.46 1.02 -1.26 -4.97 120.64 113.74 1u96 n GLU 45 Ca 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1u96 n GLU 45 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u96 n LYS 46 N -0.40 0.00 -1.58 3.49 4.76 -1.26 -4.14 118.16 119.03 1u96 n LYS 46 Ca 0.07 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.34 1u96 n LYS 46 Cb 0.41 -1.30 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u96 n LYS 48 N -2.22 0.09 -0.05 0.00 5.02 -1.26 -3.79 118.16 115.95 1u96 n LYS 48 Ca -0.18 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.03 1u96 n LYS 48 Cb 0.58 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1u96 n LYS 48 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1u96 h GLU 49 N 0.00 0.31 -0.28 1.97 4.81 -1.87 -1.79 114.58 117.73 1u96 h GLU 49 Ca 0.00 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 1u96 h GLU 49 Cb 0.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1u96 h GLU 49 CO 0.00 0.60 -0.39 0.74 -0.73 0.00 0.00 179.01 179.22 1u96 h PHE 50 N 0.00 0.80 0.12 0.92 0.04 -1.98 -0.96 116.94 115.88 1u96 h PHE 50 Ca 0.04 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1u96 h PHE 50 Cb 0.49 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1u96 h PHE 50 CO 0.06 0.96 -0.06 0.82 -0.60 0.00 0.00 178.31 179.49 1u96 h ILE 51 N 0.55 0.96 -0.35 -0.55 2.04 -1.64 -0.87 117.51 117.66 1u96 h ILE 51 Ca 0.05 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 1u96 h ILE 51 Cb 0.92 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1u96 h ILE 51 CO 0.08 0.07 -0.30 -0.33 0.00 0.00 0.00 178.15 177.67 1u96 h GLU 52 N -0.29 0.76 -0.35 2.37 5.08 -1.34 -1.74 114.58 119.05 1u96 h GLU 52 Ca -0.02 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1u96 h GLU 52 Cb 0.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1u96 h GLU 52 CO 0.03 0.96 0.15 -0.22 -1.00 0.00 0.00 179.01 178.93 1u96 h LYS 53 N 0.64 0.49 0.15 2.33 3.64 -1.08 -0.57 116.57 122.18 1u96 h LYS 53 Ca 0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1u96 h LYS 53 Cb 0.83 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1u96 h LYS 53 CO 0.07 0.40 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.66 1u96 h TYR 54 N 0.49 -0.18 -0.44 1.91 3.20 -0.82 -1.07 116.97 120.06 1u96 h TYR 54 Ca 0.12 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.04 1u96 h TYR 54 Cb 0.09 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1u96 h TYR 54 CO 0.00 0.26 0.30 1.57 -1.64 0.00 0.00 178.16 178.65 1u96 h LYS 55 N -0.77 0.38 0.11 1.82 2.10 -1.12 0.14 116.57 119.23 1u96 h LYS 55 Ca -0.02 -0.02 -0.27 0.00 -2.00 0.00 0.00 60.65 58.34 1u96 h LYS 55 Cb 0.53 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1u96 h LYS 55 CO 0.03 0.25 -1.25 0.93 -2.00 0.00 0.00 179.45 177.42 1u96 h GLU 56 N 0.39 0.24 0.00 0.07 5.08 -1.13 -1.84 114.58 117.39 1u96 h GLU 56 Ca 0.19 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1u96 h GLU 56 Cb 0.27 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1u96 h GLU 56 CO -0.05 1.18 -0.31 0.00 -1.00 0.00 0.00 179.01 178.83 1u96 n MET 58 N -2.01 0.49 0.23 0.00 2.81 0.43 -4.24 117.12 114.82 1u96 n MET 58 Ca 0.05 0.12 0.17 0.00 -1.81 0.00 0.00 57.70 56.23 1u96 n MET 58 Cb 0.41 -1.38 0.85 0.00 -0.71 0.00 0.00 33.22 32.39 1u96 n MET 58 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1u96 h LYS 59 N -0.09 0.00 0.00 0.03 -0.00 -1.50 0.13 116.57 115.13 1u96 h LYS 59 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 1u96 h LYS 59 Cb 1.65 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.88 1u96 h LYS 59 CO -0.10 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.76 1u96 n GLY 60 N -1.39 -2.47 0.00 0.07 0.00 -1.26 -4.69 105.19 95.45 1u96 n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u96 n GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u96 n TYR 61 N -0.82 0.00 0.00 1.61 4.01 -1.21 -5.00 117.16 115.75 1u96 n TYR 61 Ca 0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1u96 n TYR 61 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u96 n GLY 62 N -0.07 0.85 3.84 2.72 0.00 0.38 -5.07 105.19 107.84 1u96 n GLY 62 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1u96 n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u96 s PHE 63 N 0.00 0.02 0.00 1.61 -0.12 -0.82 -4.99 117.98 113.67 1u96 s PHE 63 Ca 0.00 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1u96 s PHE 63 Cb 0.00 0.66 0.00 0.00 -0.63 0.00 0.00 43.02 43.05 1u96 s PHE 63 CO 0.00 -0.76 0.00 0.39 -0.05 0.00 0.00 175.22 174.80 1u96 n GLU 64 N -0.66 0.00 -1.76 1.99 -0.58 -1.26 -4.27 120.64 114.09 1u96 n GLU 64 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1u96 n GLU 64 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 1u96 n GLU 64 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1u96 n VAL 65 N -1.48-11.14 -3.22 2.62 0.31 -1.26 -4.59 118.33 99.57 1u96 n VAL 65 Ca 0.00 2.78 -0.27 0.00 -0.01 0.00 0.00 64.34 66.84 1u96 n VAL 65 Cb 0.00 -4.80 -0.02 0.00 -0.91 0.00 0.00 33.84 28.11 1u96 n VAL 65 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1u96 s PRO 66 N -1.17 3.58 0.47 5.55 0.04 -1.26 -4.92 135.00 137.30 1u96 s PRO 66 Ca 0.00 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 60.89 1u96 s PRO 66 Cb 0.00 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1u96 s PRO 66 CO 0.00 0.12 0.86 -1.12 0.04 0.00 0.00 177.00 176.89 1u96 s SER 67 N -3.57 6.45 0.54 6.66 0.01 -1.26 -4.63 113.70 117.91 1u96 s SER 67 Ca 0.44 1.23 -0.15 0.00 1.31 0.00 0.00 55.95 58.77 1u96 s SER 67 Cb -0.10 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 1u96 s SER 67 CO 0.34 -0.54 1.00 0.00 0.41 0.00 0.00 173.24 174.45 1u96 s ALA 68 N -2.61 3.04 0.00 1.44 0.00 -1.26 -4.85 121.76 117.52 1u96 s ALA 68 Ca 0.53 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1u96 s ALA 68 Cb -0.10 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1u96 s ALA 68 CO 0.37 -0.38 0.00 -1.71 0.00 0.00 0.00 175.76 174.04