#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u96 s THR 2 N 0.00 4.04 0.17 2.03 -1.32 -1.26 -4.99 115.64 114.31 1u96 s THR 2 Ca 0.00 1.94 -0.32 0.00 -1.21 0.00 0.00 61.69 62.11 1u96 s THR 2 Cb 0.00 -4.24 -0.10 0.00 -1.51 0.00 0.00 72.50 66.65 1u96 s THR 2 CO 0.00 0.42 1.59 -1.83 -2.21 0.00 0.00 174.62 172.59 1u96 s GLU 3 N -0.90 4.20 0.15 7.08 1.03 -1.26 -4.83 118.70 124.18 1u96 s GLU 3 Ca 0.44 2.39 0.00 0.00 0.03 0.00 0.00 54.97 57.83 1u96 s GLU 3 Cb -0.27 -3.15 0.00 0.00 -0.80 0.00 0.00 34.13 29.91 1u96 s GLU 3 CO 0.33 -0.63 0.00 0.25 -1.33 0.00 0.00 175.26 173.89 1u96 n THR 4 N 3.99 0.00 -0.75 1.83 -2.24 -1.26 -5.00 114.28 110.84 1u96 n THR 4 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1u96 n THR 4 Cb 0.38 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1u96 n THR 4 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1u96 n ASP 5 N -2.96 -2.46 -1.33 3.42 2.03 -1.26 -4.66 116.55 109.33 1u96 n ASP 5 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 1u96 n ASP 5 Cb 0.00 -2.61 -0.07 0.00 -0.72 0.00 0.00 41.12 37.72 1u96 n ASP 5 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1u96 n LYS 6 N -0.90 -3.17 -3.81 -0.67 3.00 -1.26 -5.03 118.16 106.32 1u96 n LYS 6 Ca 0.00 2.57 -0.12 0.00 -0.00 0.00 0.00 58.31 60.76 1u96 n LYS 6 Cb 0.19 -3.58 -0.10 0.00 0.00 0.00 0.00 35.03 31.54 1u96 n LYS 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1u96 s LYS 7 N -4.39 0.42 0.00 1.64 0.00 -1.26 -5.11 119.74 111.05 1u96 s LYS 7 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 55.97 55.96 1u96 s LYS 7 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 37.83 38.02 1u96 s LYS 7 CO 0.00 -0.09 0.00 1.04 0.00 0.00 0.00 175.35 176.30 1u96 n GLN 8 N 2.13 0.00 0.18 1.78 1.13 -1.26 -5.05 117.38 116.30 1u96 n GLN 8 Ca -0.18 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1u96 n GLN 8 Cb 0.57 -0.54 0.00 0.00 0.11 0.00 0.00 30.24 30.38 1u96 n GLN 8 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1u96 n GLU 9 N -0.82 0.00 -2.54 -1.09 2.13 -1.26 -5.12 120.64 111.94 1u96 n GLU 9 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1u96 n GLU 9 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1u96 n GLU 9 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1u96 s GLN 10 N -2.00 4.57 0.34 5.31 -0.21 -1.26 -5.02 119.66 121.40 1u96 s GLN 10 Ca 0.00 1.67 -0.26 0.00 0.02 0.00 0.00 55.36 56.79 1u96 s GLN 10 Cb 0.00 -3.32 -0.09 0.00 1.00 0.00 0.00 33.01 30.60 1u96 s GLN 10 CO 0.00 0.02 1.02 -2.00 -2.12 0.00 0.00 175.29 172.21 1u96 s GLU 11 N 0.05 4.42 0.14 2.91 2.56 -1.26 -5.04 118.70 122.48 1u96 s GLU 11 Ca 0.51 1.52 -0.11 0.00 0.00 0.00 0.00 54.97 56.89 1u96 s GLU 11 Cb -0.28 -2.80 -0.06 0.00 2.00 0.00 0.00 34.13 32.99 1u96 s GLU 11 CO 0.33 0.09 0.48 -0.80 -0.56 0.00 0.00 175.26 174.80 1u96 s ASN 12 N -1.41 6.69 -0.28 -1.70 0.01 -1.26 -4.69 114.94 112.30 1u96 s ASN 12 Ca 0.52 0.90 -0.02 0.00 -0.71 0.00 0.00 52.86 53.55 1u96 s ASN 12 Cb -0.23 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1u96 s ASN 12 CO 0.30 0.09 0.06 1.41 -1.51 0.00 0.00 177.10 177.44 1u96 n HIS 13 N 0.58 -3.39 -3.83 2.20 8.25 -1.26 -5.06 115.22 112.72 1u96 n HIS 13 Ca -0.05 1.49 -0.06 0.00 -0.26 0.00 0.00 57.72 58.84 1u96 n HIS 13 Cb 0.52 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 28.07 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u96 s ALA 14 N -1.62 -1.21 -0.05 -1.41 0.00 -1.26 -5.17 121.76 111.04 1u96 s ALA 14 Ca 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1u96 s ALA 14 Cb -0.01 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1u96 s ALA 14 CO 0.68 -1.03 -0.08 -1.83 0.00 0.00 0.00 175.76 173.50 1u96 s GLU 15 N -2.90 1.21 -0.54 0.00 -1.05 -1.26 -5.11 118.70 109.05 1u96 s GLU 15 Ca 0.15 -0.24 -0.19 0.00 -0.15 0.00 0.00 54.97 54.54 1u96 s GLU 15 Cb -0.04 -1.09 0.07 0.00 -0.44 0.00 0.00 34.13 32.63 1u96 s GLU 15 CO 0.07 -0.04 0.67 0.00 0.95 0.00 0.00 175.26 176.92 1u96 n GLU 17 N 6.30 0.00 -2.15 0.00 -0.58 -1.26 -5.15 120.64 117.81 1u96 n GLU 17 Ca -0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.65 1u96 n GLU 17 Cb 0.44 -0.37 -0.01 0.00 -0.57 0.00 0.00 31.44 30.93 1u96 n GLU 17 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1u96 n ASP 18 N -3.49 0.07 -2.67 1.62 8.00 -1.26 -4.79 116.55 114.03 1u96 n ASP 18 Ca 0.00 -1.15 -0.03 0.00 0.71 0.00 0.00 54.79 54.32 1u96 n ASP 18 Cb 0.00 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1u96 n ASP 18 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u96 n LYS 19 N -0.04 -4.04 -2.09 -1.24 4.01 -1.26 -4.85 118.16 108.64 1u96 n LYS 19 Ca 0.00 3.12 -0.41 0.00 -0.51 0.00 0.00 58.31 60.51 1u96 n LYS 19 Cb 0.04 -5.06 -0.00 0.00 -0.51 0.00 0.00 35.03 29.50 1u96 n LYS 19 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1u96 n PRO 20 N 1.32 4.26 -2.84 1.97 -0.04 -1.26 -4.76 135.00 133.65 1u96 n PRO 20 Ca -0.24 -3.46 -0.05 0.00 -0.04 0.00 0.00 63.50 59.71 1u96 n PRO 20 Cb 0.38 -2.73 0.01 0.00 -0.04 0.00 0.00 33.50 31.11 1u96 n PRO 20 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u96 n LYS 21 N 2.45 -2.81 -1.11 0.54 5.02 -1.26 -4.92 118.16 116.07 1u96 n LYS 21 Ca 0.55 2.36 -0.35 0.00 -2.02 0.00 0.00 58.31 58.85 1u96 n LYS 21 Cb 0.28 -5.03 0.09 0.00 -0.02 0.00 0.00 35.03 30.35 1u96 n LYS 21 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1u96 n PRO 22 N 0.35 0.11 0.00 1.97 -0.04 -1.26 -5.00 135.00 131.13 1u96 n PRO 22 Ca 0.04 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1u96 n PRO 22 Cb 0.23 -1.83 -0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u96 h VAL 25 N 0.00 0.00 -2.39 0.00 -1.51 -2.01 -3.42 116.25 106.92 1u96 h VAL 25 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 66.70 64.92 1u96 h VAL 25 Cb 0.00 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1u96 h VAL 25 CO 0.00 0.00 1.25 0.00 -1.23 0.00 0.00 177.57 177.59 1u96 n LYS 27 N 7.72 0.05 0.29 0.00 4.76 -1.26 -4.83 118.16 124.89 1u96 n LYS 27 Ca 0.21 0.08 0.14 0.00 -2.87 0.00 0.00 58.31 55.88 1u96 n LYS 27 Cb 0.43 -2.19 0.75 0.00 -1.84 0.00 0.00 35.03 32.18 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1u96 h PRO 28 N -1.02 0.00 -0.96 1.97 0.11 -1.94 -2.58 132.00 127.58 1u96 h PRO 28 Ca -0.45 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.93 1u96 h PRO 28 Cb 1.30 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 1u96 h PRO 28 CO 0.42 0.00 0.46 0.93 -0.21 0.00 0.00 178.00 179.61 1u96 h GLU 29 N 0.00 0.34 -0.68 1.05 4.39 -2.00 0.40 114.58 118.08 1u96 h GLU 29 Ca 0.00 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1u96 h GLU 29 Cb 0.52 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1u96 h GLU 29 CO 0.00 0.22 0.45 -0.22 -1.16 0.00 0.00 179.01 178.30 1u96 h LYS 30 N 0.35 0.91 -0.35 2.33 3.64 -1.80 -1.69 116.57 119.96 1u96 h LYS 30 Ca 0.65 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1u96 h LYS 30 Cb 1.37 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1u96 h LYS 30 CO -0.59 0.61 0.22 1.49 -2.27 0.00 0.00 179.45 178.91 1u96 h GLU 31 N 0.93 0.46 -0.97 1.90 4.81 -0.44 -1.67 114.58 119.60 1u96 h GLU 31 Ca 0.25 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1u96 h GLU 31 Cb -0.10 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 1u96 h GLU 31 CO -0.05 0.33 0.64 0.93 -0.73 0.00 0.00 179.01 180.13 1u96 h GLU 32 N 0.46 1.26 -0.31 1.92 5.08 -1.01 -1.92 114.58 120.06 1u96 h GLU 32 Ca 0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1u96 h GLU 32 Cb -0.02 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 1u96 h GLU 32 CO -0.03 0.83 0.17 -0.09 -1.00 0.00 0.00 179.01 178.89 1u96 h ARG 33 N 1.29 0.43 0.31 2.33 2.43 -0.91 -1.61 114.38 118.65 1u96 h ARG 33 Ca 0.36 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1u96 h ARG 33 Cb -0.11 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1u96 h ARG 33 CO -0.09 0.37 -0.37 0.22 -1.51 0.00 0.00 179.97 178.59 1u96 h ASP 34 N 0.38 -1.01 -0.67 -3.80 1.82 -0.83 -1.73 116.42 110.57 1u96 h ASP 34 Ca 0.11 0.09 0.12 0.00 -0.39 0.00 0.00 57.03 56.96 1u96 h ASP 34 Cb 0.06 0.35 -0.09 0.00 0.68 0.00 0.00 39.33 40.34 1u96 h ASP 34 CO -0.02 -0.50 0.22 0.74 -1.61 0.00 0.00 179.24 178.07 1u96 h THR 35 N -0.72 0.67 -0.78 2.25 2.02 -1.30 0.55 112.91 115.61 1u96 h THR 35 Ca -0.01 -0.12 0.13 0.00 0.77 0.00 0.00 66.41 67.17 1u96 h THR 35 Cb 0.67 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.27 1u96 h THR 35 CO -0.10 0.07 0.37 0.00 0.37 0.00 0.00 175.52 176.23 1u96 h ILE 37 N 0.57 0.74 0.28 0.00 2.04 -0.09 0.12 117.51 121.17 1u96 h ILE 37 Ca 0.41 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1u96 h ILE 37 Cb 0.54 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1u96 h ILE 37 CO -0.34 0.30 -0.14 -0.07 0.00 0.00 0.00 178.15 177.90 1u96 h LEU 38 N 0.00 -0.32 0.09 1.44 3.38 0.13 -2.63 115.31 117.41 1u96 h LEU 38 Ca -0.00 -0.14 -0.36 0.00 0.09 0.00 0.00 57.88 57.47 1u96 h LEU 38 Cb 0.81 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1u96 h LEU 38 CO 0.04 -0.04 -1.98 2.22 0.09 0.00 0.00 178.44 178.77 1u96 n PHE 39 N -5.16 1.06 -0.03 1.13 1.16 -0.88 -4.69 117.46 110.05 1u96 n PHE 39 Ca -0.10 0.25 -0.01 0.00 -1.87 0.00 0.00 57.45 55.72 1u96 n PHE 39 Cb 0.24 -1.13 -0.00 0.00 -1.61 0.00 0.00 39.48 36.97 1u96 n PHE 39 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 1u96 h ASN 40 N -0.09 0.00 -4.24 5.98 2.35 -0.95 -3.52 115.58 115.11 1u96 h ASN 40 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1u96 h ASN 40 Cb 1.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1u96 h ASN 40 CO 0.02 0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.76 1u96 n GLY 41 N 1.79 0.49 0.92 2.83 0.00 -0.80 -4.36 105.19 106.07 1u96 n GLY 41 Ca -0.02 -2.18 0.12 0.00 0.00 0.00 0.00 46.02 43.95 1u96 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u96 n GLN 42 N 0.00 2.24 -0.16 1.61 6.02 -1.26 -4.20 117.38 121.63 1u96 n GLN 42 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 57.00 55.14 1u96 n GLN 42 Cb 0.00 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.80 1u96 n GLN 42 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1u96 n ASP 43 N 1.23 0.00 0.06 1.08 5.75 -1.26 -4.74 116.55 118.66 1u96 n ASP 43 Ca 0.14 -1.26 -0.11 0.00 -0.01 0.00 0.00 54.79 53.55 1u96 n ASP 43 Cb 0.59 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.58 1u96 n ASP 43 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1u96 h SER 44 N 0.00 -0.38 0.00 -1.12 0.87 -1.76 -3.45 113.55 107.71 1u96 h SER 44 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1u96 h SER 44 Cb 1.10 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1u96 h SER 44 CO 0.00 -0.19 0.00 -0.62 -0.53 0.00 0.00 176.83 175.49 1u96 n GLU 45 N -5.26 0.00 -2.93 2.24 -0.58 -1.26 -5.08 120.64 107.77 1u96 n GLU 45 Ca -0.05 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1u96 n GLU 45 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 1u96 n GLU 45 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1u96 s LYS 46 N -0.25 0.60 0.00 3.49 -0.14 -1.26 -5.00 119.74 117.18 1u96 s LYS 46 Ca 0.00 -0.34 0.23 0.00 -1.36 0.00 0.00 55.97 54.50 1u96 s LYS 46 Cb 0.00 0.04 0.59 0.00 -1.68 0.00 0.00 37.83 36.78 1u96 s LYS 46 CO 0.00 -0.82 1.50 0.00 -0.76 0.00 0.00 175.35 175.27 1u96 h LYS 48 N 4.35 0.00 -0.51 0.00 3.64 -1.94 -2.95 116.57 119.16 1u96 h LYS 48 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1u96 h LYS 48 Cb 0.99 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1u96 h LYS 48 CO 0.00 0.14 0.31 1.49 -2.27 0.00 0.00 179.45 179.12 1u96 h GLU 49 N 0.00 0.60 -0.34 1.90 4.57 -2.01 -1.77 114.58 117.53 1u96 h GLU 49 Ca -0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1u96 h GLU 49 Cb 0.48 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1u96 h GLU 49 CO 0.02 0.40 0.14 0.74 -1.18 0.00 0.00 179.01 179.13 1u96 h PHE 50 N 0.62 0.47 0.03 0.92 0.04 -1.85 -1.65 116.94 115.51 1u96 h PHE 50 Ca 0.20 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 1u96 h PHE 50 Cb 0.01 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1u96 h PHE 50 CO -0.06 0.37 -0.01 0.82 -0.60 0.00 0.00 178.31 178.82 1u96 h ILE 51 N 0.48 1.26 -0.95 -0.55 2.04 -1.44 -1.40 117.51 116.94 1u96 h ILE 51 Ca 0.12 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1u96 h ILE 51 Cb 0.09 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1u96 h ILE 51 CO -0.01 0.23 0.63 -0.33 0.00 0.00 0.00 178.15 178.66 1u96 h GLU 52 N -0.42 1.24 -0.57 2.37 4.39 -1.12 -2.01 114.58 118.45 1u96 h GLU 52 Ca -0.00 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1u96 h GLU 52 Cb 0.40 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1u96 h GLU 52 CO 0.01 0.82 -0.05 0.87 -1.16 0.00 0.00 179.01 179.49 1u96 h LYS 53 N 1.28 1.04 0.81 2.33 1.57 -1.29 -1.90 116.57 120.42 1u96 h LYS 53 Ca 0.35 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1u96 h LYS 53 Cb -0.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1u96 h LYS 53 CO -0.08 1.05 -0.42 -0.92 -0.57 0.00 0.00 179.45 178.50 1u96 h TYR 54 N 0.94 -1.11 -0.39 -1.35 3.20 -0.71 0.09 116.97 117.65 1u96 h TYR 54 Ca 0.16 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.09 1u96 h TYR 54 Cb 0.61 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 1u96 h TYR 54 CO 0.04 -0.66 -0.14 0.87 -1.64 0.00 0.00 178.16 176.62 1u96 h LYS 55 N -1.13 -0.06 -0.98 1.82 1.57 -1.41 0.43 116.57 116.81 1u96 h LYS 55 Ca -0.11 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1u96 h LYS 55 Cb 0.88 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.14 1u96 h LYS 55 CO 0.16 -0.04 0.63 1.49 -0.57 0.00 0.00 179.45 181.12 1u96 h GLU 56 N -0.06 1.10 0.00 3.15 4.81 -1.28 0.20 114.58 122.50 1u96 h GLU 56 Ca 0.19 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1u96 h GLU 56 Cb 0.35 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1u96 h GLU 56 CO -0.43 0.73 -0.28 0.00 -0.73 0.00 0.00 179.01 178.30 1u96 n MET 58 N -1.56 1.41 -0.04 0.00 2.81 0.14 -3.27 117.12 116.60 1u96 n MET 58 Ca 0.06 -0.04 -0.06 0.00 -1.81 0.00 0.00 57.70 55.85 1u96 n MET 58 Cb 0.35 -1.29 -0.14 0.00 -0.71 0.00 0.00 33.22 31.43 1u96 n MET 58 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1u96 n LYS 59 N -1.56 0.66 0.00 0.03 2.85 0.58 -1.50 118.16 119.21 1u96 n LYS 59 Ca 0.01 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1u96 n LYS 59 Cb 0.30 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 1u96 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1u96 n GLY 60 N 1.58 0.85 1.01 2.58 0.00 -1.22 -4.57 105.19 105.41 1u96 n GLY 60 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.85 0.93 0.00 1.61 4.01 -1.26 -4.94 117.16 116.66 1u96 n TYR 61 Ca 0.00 -0.66 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 1u96 n TYR 61 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 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 0.36 0.86 0.00 2.72 0.00 -1.20 -4.99 105.19 102.94 1u96 n GLY 62 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1u96 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u96 n PHE 63 N 0.00 0.00 -3.56 1.61 7.35 -0.56 -4.94 117.46 117.36 1u96 n PHE 63 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1u96 n PHE 63 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 1u96 n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1u96 s GLU 64 N 0.00 2.63 -0.30 -4.13 0.41 -1.26 -4.98 118.70 111.07 1u96 s GLU 64 Ca 0.00 -1.52 -0.18 0.00 -0.41 0.00 0.00 54.97 52.86 1u96 s GLU 64 Cb 0.00 -3.86 0.17 0.00 -1.78 0.00 0.00 34.13 28.66 1u96 s GLU 64 CO 0.00 -1.02 1.24 0.54 -0.49 0.00 0.00 175.26 175.53 1u96 s VAL 65 N 1.44 -0.04 -2.01 2.63 0.11 -1.26 -4.82 120.40 116.45 1u96 s VAL 65 Ca 0.04 0.00 0.22 0.00 -2.93 0.00 0.00 61.98 59.30 1u96 s VAL 65 Cb -0.24 -0.97 0.61 0.00 -1.53 0.00 0.00 36.38 34.25 1u96 s VAL 65 CO 0.02 0.00 1.82 -2.65 -3.33 0.00 0.00 175.10 170.96 1u96 n PRO 66 N 5.48 1.01 -1.42 1.54 -0.02 -1.26 -4.97 135.00 135.37 1u96 n PRO 66 Ca -0.09 -0.02 0.19 0.00 -2.02 0.00 0.00 63.50 61.56 1u96 n PRO 66 Cb 0.55 -1.34 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 1u96 n PRO 66 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1u96 n SER 67 N -0.81 -8.44 -4.81 2.55 7.64 -1.26 -4.85 113.62 103.64 1u96 n SER 67 Ca 0.16 0.59 -0.34 0.00 1.01 0.00 0.00 58.87 60.29 1u96 n SER 67 Cb 0.08 -4.31 -0.07 0.00 -1.01 0.00 0.00 64.21 58.90 1u96 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u96 s ALA 68 N -2.26 3.67 0.00 -0.43 0.00 -1.26 -4.81 121.76 116.67 1u96 s ALA 68 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1u96 s ALA 68 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1u96 s ALA 68 CO 0.00 0.67 0.13 -1.71 0.00 0.00 0.00 175.76 174.86