#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 -3.73 -3.99 1.12 -1.04 -1.26 -4.94 114.28 100.43 1u96 n THR 2 Ca 0.00 1.66 -0.34 0.00 -2.04 0.00 0.00 64.05 63.33 1u96 n THR 2 Cb 0.00 -2.39 -0.15 0.00 -1.82 0.00 0.00 70.33 65.98 1u96 n THR 2 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1u96 s GLU 3 N -4.50 2.89 0.39 -2.82 2.02 -1.26 -5.11 118.70 110.30 1u96 s GLU 3 Ca 0.00 -0.93 0.08 0.00 0.02 0.00 0.00 54.97 54.14 1u96 s GLU 3 Cb 0.00 -2.90 -0.06 0.00 0.10 0.00 0.00 34.13 31.27 1u96 s GLU 3 CO 0.00 -0.35 0.07 0.95 0.02 0.00 0.00 175.26 175.95 1u96 s THR 4 N 1.32 2.32 0.06 3.63 -4.23 -1.26 -5.15 115.64 112.33 1u96 s THR 4 Ca 0.01 -1.88 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1u96 s THR 4 Cb -0.16 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 1u96 s THR 4 CO -0.06 -0.07 -0.26 -1.81 -0.54 0.00 0.00 174.62 171.87 1u96 s ASP 5 N -3.78 3.17 0.00 3.99 1.11 -1.26 -5.01 116.67 114.89 1u96 s ASP 5 Ca 0.37 -0.61 0.23 0.00 0.18 0.00 0.00 52.55 52.72 1u96 s ASP 5 Cb 0.04 -0.28 1.14 0.00 1.07 0.00 0.00 42.92 44.89 1u96 s ASP 5 CO 0.20 0.25 1.75 0.29 1.18 0.00 0.00 175.17 178.83 1u96 n LYS 6 N 1.65 0.29 -1.81 8.23 4.01 -1.26 -4.58 118.16 124.70 1u96 n LYS 6 Ca -0.17 0.07 -0.42 0.00 -0.51 0.00 0.00 58.31 57.28 1u96 n LYS 6 Cb 0.52 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.51 1u96 n LYS 6 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1u96 s LYS 7 N -2.62 3.79 -1.48 1.97 2.20 -1.26 -2.27 119.74 120.07 1u96 s LYS 7 Ca 0.20 2.17 -0.12 0.00 -0.36 0.00 0.00 55.97 57.86 1u96 s LYS 7 Cb 0.15 -4.17 0.06 0.00 -1.51 0.00 0.00 37.83 32.37 1u96 s LYS 7 CO 0.36 -1.33 1.03 1.04 -0.36 0.00 0.00 175.35 176.09 1u96 n GLN 8 N 7.84 -6.19 -1.68 4.03 6.02 -1.26 -4.85 117.38 121.29 1u96 n GLN 8 Ca 0.22 0.67 -0.47 0.00 -0.01 0.00 0.00 57.00 57.41 1u96 n GLN 8 Cb 0.43 -5.61 -0.04 0.00 1.02 0.00 0.00 30.24 26.04 1u96 n GLN 8 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u96 n GLU 9 N -4.76 2.29 -2.71 -1.09 4.07 -0.96 -4.98 120.64 112.51 1u96 n GLU 9 Ca 0.03 0.84 -0.16 0.00 -0.06 0.00 0.00 57.16 57.81 1u96 n GLU 9 Cb 0.54 -2.68 0.04 0.00 -0.06 0.00 0.00 31.44 29.27 1u96 n GLU 9 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1u96 n GLN 10 N 6.06 0.76 -2.22 5.31 10.64 -1.26 -5.07 117.38 131.59 1u96 n GLN 10 Ca 0.21 -2.41 -0.41 0.00 -1.83 0.00 0.00 57.00 52.56 1u96 n GLN 10 Cb 0.31 -0.04 -0.03 0.00 -0.86 0.00 0.00 30.24 29.62 1u96 n GLN 10 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1u96 s GLU 11 N -3.88 4.41 1.16 2.61 8.01 -1.26 -5.02 118.70 124.72 1u96 s GLU 11 Ca 0.39 2.07 -0.18 0.00 0.01 0.00 0.00 54.97 57.25 1u96 s GLU 11 Cb -0.03 -3.17 0.27 0.00 -4.31 0.00 0.00 34.13 26.89 1u96 s GLU 11 CO 0.25 -0.19 1.14 -0.80 0.01 0.00 0.00 175.26 175.66 1u96 s ASN 12 N 0.04 1.33 -0.04 -0.19 -0.87 -1.26 -5.07 114.94 108.88 1u96 s ASN 12 Ca 0.54 0.61 0.04 0.00 -1.57 0.00 0.00 52.86 52.48 1u96 s ASN 12 Cb -0.37 -0.86 -0.00 0.00 -0.02 0.00 0.00 41.25 40.00 1u96 s ASN 12 CO 0.42 -3.87 -0.14 -2.28 -2.57 0.00 0.00 177.10 168.66 1u96 s HIS 13 N -3.13 1.40 -0.18 2.20 2.46 -1.26 -5.14 115.29 111.65 1u96 s HIS 13 Ca 0.71 -0.39 -0.16 0.00 0.47 0.00 0.00 55.06 55.69 1u96 s HIS 13 Cb -0.09 -0.96 0.05 0.00 -0.13 0.00 0.00 32.58 31.44 1u96 s HIS 13 CO 0.56 -0.14 0.48 0.00 -2.47 0.00 0.00 174.74 173.17 1u96 s ALA 14 N 0.11 -1.20 -0.12 1.58 0.00 -1.26 -5.04 121.76 115.83 1u96 s ALA 14 Ca -0.04 1.40 0.17 0.00 0.00 0.00 0.00 51.96 53.49 1u96 s ALA 14 Cb -0.10 -0.82 0.27 0.00 0.00 0.00 0.00 23.12 22.47 1u96 s ALA 14 CO 0.01 -0.23 1.14 -1.91 0.00 0.00 0.00 175.76 174.77 1u96 n GLU 15 N 2.95 1.17 -3.52 0.00 2.13 -1.26 -4.94 120.64 117.17 1u96 n GLU 15 Ca -0.14 -2.48 -0.24 0.00 0.66 0.00 0.00 57.16 54.96 1u96 n GLU 15 Cb 0.57 -1.40 -0.14 0.00 0.27 0.00 0.00 31.44 30.73 1u96 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1u96 s GLU 17 N 2.20 3.57 0.07 0.00 -1.05 -1.26 -5.08 118.70 117.15 1u96 s GLU 17 Ca 0.07 -0.54 -0.01 0.00 -0.15 0.00 0.00 54.97 54.34 1u96 s GLU 17 Cb -0.16 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.49 1u96 s GLU 17 CO -0.24 -0.02 0.11 -0.40 0.95 0.00 0.00 175.26 175.66 1u96 n ASP 18 N 4.32 -0.30 -2.69 0.83 5.75 -1.26 -4.75 116.55 118.44 1u96 n ASP 18 Ca -0.17 -1.36 -0.02 0.00 -0.01 0.00 0.00 54.79 53.22 1u96 n ASP 18 Cb 0.52 0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 41.13 1u96 n ASP 18 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1u96 n LYS 19 N -0.11 -3.85 -0.07 0.11 5.02 -1.26 -4.91 118.16 113.09 1u96 n LYS 19 Ca -0.00 3.00 -0.04 0.00 -2.02 0.00 0.00 58.31 59.25 1u96 n LYS 19 Cb 0.12 -5.12 -0.01 0.00 -0.02 0.00 0.00 35.03 29.99 1u96 n LYS 19 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1u96 h PRO 20 N 3.52 0.00 -0.56 1.97 0.13 -1.96 -3.48 132.00 131.62 1u96 h PRO 20 Ca -0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1u96 h PRO 20 Cb 0.52 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.49 1u96 h PRO 20 CO 0.06 0.03 -0.29 0.21 -0.23 0.00 0.00 178.00 177.79 1u96 s LYS 21 N -2.07 0.58 -0.28 0.86 2.47 -1.26 -5.12 119.74 114.91 1u96 s LYS 21 Ca -0.11 -0.51 -0.42 0.00 -1.56 0.00 0.00 55.97 53.36 1u96 s LYS 21 Cb 0.02 -0.01 -0.18 0.00 -1.46 0.00 0.00 37.83 36.20 1u96 s LYS 21 CO 0.18 -0.73 1.58 -2.30 0.16 0.00 0.00 175.35 174.24 1u96 n PRO 22 N 3.00 0.64 0.00 4.03 -0.02 -1.26 -4.97 135.00 136.42 1u96 n PRO 22 Ca 0.13 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1u96 n PRO 22 Cb 0.61 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u96 h VAL 25 N 0.00 0.51 -3.53 0.00 -1.51 -2.00 -3.42 116.25 106.30 1u96 h VAL 25 Ca 0.00 -0.68 -0.36 0.00 -1.23 0.00 0.00 66.70 64.43 1u96 h VAL 25 Cb 0.73 1.46 -0.33 0.00 -2.13 0.00 0.00 31.29 31.02 1u96 h VAL 25 CO 0.00 0.14 -0.76 0.00 -1.23 0.00 0.00 177.57 175.72 1u96 n LYS 27 N 3.94 0.00 0.15 0.00 4.81 -1.26 -4.50 118.16 121.31 1u96 n LYS 27 Ca -0.25 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.25 1u96 n LYS 27 Cb 0.51 0.00 0.54 0.00 0.02 0.00 0.00 35.03 36.10 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1u96 h PRO 28 N 0.00 0.22 0.03 1.64 0.11 -1.95 -2.77 132.00 129.28 1u96 h PRO 28 Ca 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1u96 h PRO 28 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1u96 h PRO 28 CO 0.00 0.16 -0.08 0.93 -0.21 0.00 0.00 178.00 178.81 1u96 h GLU 29 N 0.22 -0.14 -0.91 1.05 5.08 -1.97 -1.60 114.58 116.30 1u96 h GLU 29 Ca 0.06 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1u96 h GLU 29 Cb 0.01 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1u96 h GLU 29 CO -0.01 -0.09 0.60 0.87 -1.00 0.00 0.00 179.01 179.37 1u96 h LYS 30 N -0.15 1.05 -0.47 2.33 1.57 -1.88 -1.73 116.57 117.30 1u96 h LYS 30 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1u96 h LYS 30 Cb 0.17 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1u96 h LYS 30 CO -0.06 0.70 0.18 0.93 -0.57 0.00 0.00 179.45 180.63 1u96 h GLU 31 N 1.08 0.70 -0.57 3.15 5.08 -1.35 -1.98 114.58 120.69 1u96 h GLU 31 Ca 0.38 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1u96 h GLU 31 Cb 0.12 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1u96 h GLU 31 CO -0.13 0.64 0.26 0.93 -1.00 0.00 0.00 179.01 179.70 1u96 h GLU 32 N 0.61 0.83 0.49 2.33 4.39 -0.67 -1.37 114.58 121.19 1u96 h GLU 32 Ca 0.15 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1u96 h GLU 32 Cb 0.20 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1u96 h GLU 32 CO -0.01 0.69 -0.23 -0.09 -1.16 0.00 0.00 179.01 178.21 1u96 h ARG 33 N 0.78 -0.63 -0.59 2.33 2.43 -1.17 -1.69 114.38 115.84 1u96 h ARG 33 Ca 0.19 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1u96 h ARG 33 Cb 0.15 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 1u96 h ARG 33 CO -0.02 -0.41 0.31 0.22 -1.51 0.00 0.00 179.97 178.56 1u96 h ASP 34 N -0.67 0.45 -0.51 -3.80 3.58 -1.32 -1.80 116.42 112.36 1u96 h ASP 34 Ca -0.07 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.45 1u96 h ASP 34 Cb 0.51 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1u96 h ASP 34 CO 0.11 0.30 0.27 0.74 -2.88 0.00 0.00 179.24 177.79 1u96 h THR 35 N 0.59 1.00 -0.55 2.25 2.02 -1.13 0.87 112.91 117.95 1u96 h THR 35 Ca 0.26 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1u96 h THR 35 Cb 0.17 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1u96 h THR 35 CO -0.17 0.10 0.32 0.00 0.37 0.00 0.00 175.52 176.14 1u96 h ILE 37 N 0.74 0.17 0.02 0.00 2.04 -0.88 -0.09 117.51 119.50 1u96 h ILE 37 Ca 0.20 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1u96 h ILE 37 Cb 0.00 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1u96 h ILE 37 CO -0.04 0.06 -0.01 0.25 0.00 0.00 0.00 178.15 178.42 1u96 h LEU 38 N 0.00 -0.02 0.00 1.44 7.12 0.03 -2.47 115.31 121.42 1u96 h LEU 38 Ca -0.00 -0.73 -0.00 0.00 0.13 0.00 0.00 57.88 57.28 1u96 h LEU 38 Cb 0.60 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1u96 h LEU 38 CO 0.01 0.74 -0.00 -0.26 -0.13 0.00 0.00 178.44 178.80 1u96 h PHE 39 N -0.80 0.00 0.18 1.25 0.04 -1.35 -3.41 116.94 112.85 1u96 h PHE 39 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1u96 h PHE 39 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1u96 h PHE 39 CO 0.19 0.82 -0.08 -0.91 -0.60 0.00 0.00 178.31 177.73 1u96 h ASN 40 N -1.00 -0.20 -3.19 2.17 4.21 -1.20 -3.51 115.58 112.85 1u96 h ASN 40 Ca -0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1u96 h ASN 40 Cb 0.82 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.08 1u96 h ASN 40 CO -0.00 0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.84 1u96 n GLY 41 N 0.96 0.27 0.23 2.83 0.00 -0.93 -4.77 105.19 103.79 1u96 n GLY 41 Ca -0.03 -1.82 0.16 0.00 0.00 0.00 0.00 46.02 44.33 1u96 n GLY 41 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1u96 h GLN 42 N 5.05 0.00 0.00 1.61 -0.00 -1.91 -3.37 115.11 116.49 1u96 h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1u96 h GLN 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1u96 h GLN 42 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.36 1u96 n ASP 43 N -2.63 0.00 0.00 0.06 2.03 -1.26 -4.58 116.55 110.17 1u96 n ASP 43 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1u96 n ASP 43 Cb 0.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1u96 n ASP 43 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1u96 n SER 44 N -0.94 0.00 -1.95 1.67 7.64 -1.26 -0.08 113.62 118.70 1u96 n SER 44 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1u96 n SER 44 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1u96 n SER 44 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u96 n GLU 45 N 0.00 1.97 -2.70 1.43 1.02 -1.26 -4.93 120.64 116.17 1u96 n GLU 45 Ca 0.00 -2.30 -0.02 0.00 -0.02 0.00 0.00 57.16 54.82 1u96 n GLU 45 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 -0.73 -3.18 -0.25 3.49 4.01 0.88 -4.90 118.16 117.47 1u96 n LYS 46 Ca 0.46 2.59 0.07 0.00 -0.51 0.00 0.00 58.31 60.92 1u96 n LYS 46 Cb 1.36 -5.31 0.21 0.00 -0.51 0.00 0.00 35.03 30.78 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u96 h LYS 48 N 2.71 0.00 -0.91 0.00 2.10 -1.89 -3.09 116.57 115.48 1u96 h LYS 48 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 1u96 h LYS 48 Cb 0.66 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.90 1u96 h LYS 48 CO 0.02 0.19 0.52 0.93 -2.00 0.00 0.00 179.45 179.11 1u96 h GLU 49 N 0.00 0.72 -0.15 0.07 5.08 -1.96 0.80 114.58 119.13 1u96 h GLU 49 Ca -0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1u96 h GLU 49 Cb 0.66 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1u96 h GLU 49 CO 0.03 0.47 -0.22 0.74 -1.00 0.00 0.00 179.01 179.03 1u96 h PHE 50 N 0.74 0.29 0.15 4.33 -1.00 -1.87 -1.45 116.94 118.13 1u96 h PHE 50 Ca 0.49 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 61.22 1u96 h PHE 50 Cb 0.66 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1u96 h PHE 50 CO -0.05 0.48 -0.07 0.82 -1.61 0.00 0.00 178.31 177.87 1u96 h ILE 51 N 0.24 0.99 -0.59 -0.55 2.04 -1.01 -1.70 117.51 116.93 1u96 h ILE 51 Ca 0.04 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1u96 h ILE 51 Cb 0.54 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1u96 h ILE 51 CO 0.04 0.20 0.30 -0.33 0.00 0.00 0.00 178.15 178.36 1u96 h GLU 52 N -0.66 0.84 -0.04 2.37 3.07 -1.30 -1.93 114.58 116.94 1u96 h GLU 52 Ca -0.02 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1u96 h GLU 52 Cb 0.49 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1u96 h GLU 52 CO 0.03 0.66 0.02 0.87 -1.40 0.00 0.00 179.01 179.20 1u96 h LYS 53 N 0.81 0.05 0.52 2.33 1.57 -1.32 -1.03 116.57 119.51 1u96 h LYS 53 Ca 0.21 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1u96 h LYS 53 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1u96 h LYS 53 CO -0.03 0.09 -0.45 -0.92 -0.57 0.00 0.00 179.45 177.57 1u96 h TYR 54 N 0.01 -1.23 -0.22 -1.35 3.20 -1.16 0.51 116.97 116.74 1u96 h TYR 54 Ca 0.01 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.95 1u96 h TYR 54 Cb 0.05 0.47 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 1u96 h TYR 54 CO -0.06 -0.61 -0.28 0.87 -1.64 0.00 0.00 178.16 176.44 1u96 h LYS 55 N -0.95 -0.29 -0.20 1.82 1.57 -1.36 0.25 116.57 117.41 1u96 h LYS 55 Ca -0.07 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1u96 h LYS 55 Cb 0.80 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1u96 h LYS 55 CO -0.01 -0.19 0.13 0.93 -0.57 0.00 0.00 179.45 179.74 1u96 h GLU 56 N -0.30 0.14 0.00 3.15 5.08 -1.10 0.29 114.58 121.84 1u96 h GLU 56 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1u96 h GLU 56 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1u96 h GLU 56 CO -0.39 0.09 -0.35 0.00 -1.00 0.00 0.00 179.01 177.36 1u96 n MET 58 N -2.24 0.00 0.24 0.00 2.81 0.71 -1.92 117.12 116.71 1u96 n MET 58 Ca 0.04 0.19 0.13 0.00 -1.81 0.00 0.00 57.70 56.25 1u96 n MET 58 Cb 0.44 -0.69 0.45 0.00 -0.71 0.00 0.00 33.22 32.71 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 0.00 0.00 0.53 0.03 2.10 -1.25 0.46 116.57 118.45 1u96 h LYS 59 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1u96 h LYS 59 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1u96 h LYS 59 CO 0.00 0.09 -0.26 0.78 -2.00 0.00 0.00 179.45 178.06 1u96 h GLY 60 N 2.69 -0.75 0.00 0.07 0.00 -1.50 -3.43 103.07 100.15 1u96 h GLY 60 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1u96 h GLY 60 CO 0.01 -0.27 0.00 2.98 0.00 0.00 0.00 176.54 179.26 1u96 n TYR 61 N -5.33 0.00 0.00 5.60 9.36 -1.24 -5.05 117.16 120.50 1u96 n TYR 61 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1u96 n TYR 61 Cb 0.32 0.03 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1u96 n GLY 62 N 0.00 1.33 3.91 2.98 0.00 0.16 -5.00 105.19 108.57 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 -0.12 0.00 0.00 0.00 173.32 173.20 1u96 s PHE 63 N 0.54 0.07 0.08 1.61 5.36 0.14 -4.92 117.98 120.86 1u96 s PHE 63 Ca 0.00 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.54 1u96 s PHE 63 Cb 0.00 0.68 0.00 0.00 -0.34 0.00 0.00 43.02 43.36 1u96 s PHE 63 CO 0.00 -0.82 0.00 0.39 -1.46 0.00 0.00 175.22 173.33 1u96 n GLU 64 N -0.75 -0.67 -2.08 10.12 -0.58 -1.26 -4.16 120.64 121.26 1u96 n GLU 64 Ca -0.02 0.44 -0.01 0.00 -0.42 0.00 0.00 57.16 57.16 1u96 n GLU 64 Cb 0.59 -0.82 -0.01 0.00 -0.57 0.00 0.00 31.44 30.63 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 -2.32-10.38 -0.55 2.62 0.31 -1.26 -4.35 118.33 102.40 1u96 n VAL 65 Ca 0.00 2.25 0.00 0.00 -0.01 0.00 0.00 64.34 66.58 1u96 n VAL 65 Cb 0.15 -5.42 0.00 0.00 -0.91 0.00 0.00 33.84 27.66 1u96 n VAL 65 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1u96 n PRO 66 N 1.31 -0.40 -3.58 5.55 -0.02 -1.26 -4.83 135.00 131.78 1u96 n PRO 66 Ca -0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 1u96 n PRO 66 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.59 1u96 n PRO 66 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u96 s SER 67 N -1.34 -0.41 -0.38 2.55 0.15 -1.26 -4.98 113.70 108.03 1u96 s SER 67 Ca 0.00 -0.23 -0.28 0.00 0.70 0.00 0.00 55.95 56.14 1u96 s SER 67 Cb 0.00 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1u96 s SER 67 CO 0.00 -1.02 1.81 0.00 1.20 0.00 0.00 173.24 175.23 1u96 s ALA 68 N -3.81 2.73 -2.16 5.45 0.00 -1.26 -5.14 121.76 117.57 1u96 s ALA 68 Ca 0.04 0.09 0.31 0.00 0.00 0.00 0.00 51.96 52.40 1u96 s ALA 68 Cb -0.01 -4.07 1.63 0.00 0.00 0.00 0.00 23.12 20.67 1u96 s ALA 68 CO -0.08 -2.88 2.07 0.09 0.00 0.00 0.00 175.76 174.96