#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 1.34 -3.63 2.03 -1.04 -1.26 -4.97 114.28 106.76 1u96 n THR 2 Ca 0.00 0.14 -0.37 0.00 -2.04 0.00 0.00 64.05 61.77 1u96 n THR 2 Cb 0.00 -2.04 -0.11 0.00 -1.82 0.00 0.00 70.33 66.36 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 -2.56 3.95 0.38 -2.82 0.41 -1.26 -5.09 118.70 111.71 1u96 s GLU 3 Ca -0.21 -0.32 -0.02 0.00 -0.41 0.00 0.00 54.97 54.01 1u96 s GLU 3 Cb 0.04 -3.59 0.08 0.00 -1.78 0.00 0.00 34.13 28.88 1u96 s GLU 3 CO 0.30 -0.11 0.52 0.25 -0.49 0.00 0.00 175.26 175.73 1u96 n THR 4 N 4.83 0.00 -2.35 3.63 -2.24 -1.26 -4.93 114.28 111.96 1u96 n THR 4 Ca -0.14 -0.72 -0.02 0.00 -2.27 0.00 0.00 64.05 60.89 1u96 n THR 4 Cb 0.52 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.04 -5.77 0.00 3.42 2.03 -1.26 -5.06 116.55 106.87 1u96 n ASP 5 Ca 0.08 1.55 0.00 0.00 0.52 0.00 0.00 54.79 56.94 1u96 n ASP 5 Cb 0.29 -4.93 0.00 0.00 -0.72 0.00 0.00 41.12 35.76 1u96 n ASP 5 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1u96 n LYS 6 N 1.66 0.00 -2.38 -0.67 5.02 -1.26 -5.04 118.16 115.49 1u96 n LYS 6 Ca -0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.71 1u96 n LYS 6 Cb 0.23 -0.01 -0.02 0.00 -0.02 0.00 0.00 35.03 35.21 1u96 n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u96 s LYS 7 N -1.05 4.00 0.55 1.97 2.47 -1.26 -4.99 119.74 121.44 1u96 s LYS 7 Ca 0.00 1.45 -0.21 0.00 -1.56 0.00 0.00 55.97 55.64 1u96 s LYS 7 Cb 0.00 -3.86 -0.05 0.00 -1.46 0.00 0.00 37.83 32.46 1u96 s LYS 7 CO 0.00 -1.01 1.30 1.14 0.16 0.00 0.00 175.35 176.94 1u96 s GLN 8 N 4.02 3.15 0.00 4.03 0.00 -1.26 -4.94 119.66 124.66 1u96 s GLN 8 Ca 0.58 2.09 0.12 0.00 -0.00 0.00 0.00 55.36 58.15 1u96 s GLN 8 Cb -0.20 -2.19 -0.06 0.00 0.00 0.00 0.00 33.01 30.56 1u96 s GLN 8 CO 0.21 -1.14 0.64 0.39 0.00 0.00 0.00 175.29 175.39 1u96 n GLU 9 N -1.11 2.39 -4.04 9.60 1.02 -1.26 -4.96 120.64 122.28 1u96 n GLU 9 Ca 0.11 -0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 56.52 1u96 n GLU 9 Cb 0.46 -1.13 -0.09 0.00 -0.02 0.00 0.00 31.44 30.67 1u96 n GLU 9 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1u96 s GLN 10 N -1.85 3.63 0.84 3.49 0.74 -1.26 -5.11 119.66 120.13 1u96 s GLN 10 Ca 0.08 -0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.11 1u96 s GLN 10 Cb 0.10 -3.12 0.17 0.00 1.10 0.00 0.00 33.01 31.25 1u96 s GLN 10 CO 0.40 0.50 1.15 -1.21 -0.55 0.00 0.00 175.29 175.59 1u96 s GLU 11 N -0.27 1.15 -0.16 1.67 8.01 -1.26 -4.87 118.70 122.98 1u96 s GLU 11 Ca 0.09 -0.83 -0.11 0.00 0.01 0.00 0.00 54.97 54.13 1u96 s GLU 11 Cb -0.12 -2.11 0.04 0.00 -4.31 0.00 0.00 34.13 27.63 1u96 s GLU 11 CO 0.01 -1.92 0.22 0.09 0.01 0.00 0.00 175.26 173.67 1u96 n ASN 12 N -3.28 -1.35 -4.87 -0.19 5.03 -1.26 -4.99 115.26 104.36 1u96 n ASN 12 Ca 0.16 1.34 -0.31 0.00 0.87 0.00 0.00 54.58 56.64 1u96 n ASN 12 Cb 0.60 -5.07 -0.05 0.00 -1.02 0.00 0.00 39.78 34.24 1u96 n ASN 12 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1u96 s HIS 13 N -0.63 3.43 0.00 3.10 -3.43 -1.26 -4.97 115.29 111.53 1u96 s HIS 13 Ca -0.25 1.05 0.00 0.00 -0.80 0.00 0.00 55.06 55.06 1u96 s HIS 13 Cb 0.02 -2.42 0.00 0.00 -1.43 0.00 0.00 32.58 28.75 1u96 s HIS 13 CO 0.67 0.05 0.00 0.00 -2.00 0.00 0.00 174.74 173.46 1u96 n ALA 14 N -0.74 2.22 -1.31 -1.38 0.00 -1.26 -5.17 120.51 112.88 1u96 n ALA 14 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1u96 n ALA 14 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1u96 n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u96 n GLU 15 N -2.12 -3.48 -3.49 0.00 4.07 -1.26 -4.84 120.64 109.52 1u96 n GLU 15 Ca 0.00 2.68 -0.42 0.00 -0.06 0.00 0.00 57.16 59.36 1u96 n GLU 15 Cb 0.00 -3.30 -0.10 0.00 -0.06 0.00 0.00 31.44 27.98 1u96 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1u96 n GLU 17 N 5.13 0.81 -1.65 0.00 0.28 -1.26 -5.10 120.64 118.84 1u96 n GLU 17 Ca -0.11 -1.28 -0.32 0.00 -0.16 0.00 0.00 57.16 55.29 1u96 n GLU 17 Cb 0.47 0.69 0.05 0.00 1.43 0.00 0.00 31.44 34.09 1u96 n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1u96 s ASP 18 N -1.93 5.03 -0.09 -1.84 1.11 -1.26 -4.66 116.67 113.03 1u96 s ASP 18 Ca 0.08 1.93 -0.07 0.00 0.18 0.00 0.00 52.55 54.67 1u96 s ASP 18 Cb 0.00 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.48 1u96 s ASP 18 CO 0.05 -1.68 0.13 0.29 1.18 0.00 0.00 175.17 175.14 1u96 n LYS 19 N -2.68 -4.71 -0.07 8.23 5.02 -1.26 -5.01 118.16 117.69 1u96 n LYS 19 Ca 0.10 3.50 -0.05 0.00 -2.02 0.00 0.00 58.31 59.84 1u96 n LYS 19 Cb 0.52 -4.76 -0.02 0.00 -0.02 0.00 0.00 35.03 30.76 1u96 n LYS 19 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1u96 n PRO 20 N 1.70 0.41 -2.68 1.97 -0.04 -1.26 -4.95 135.00 130.14 1u96 n PRO 20 Ca -0.23 0.44 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1u96 n PRO 20 Cb 0.35 -1.54 0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1u96 n PRO 20 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1u96 n LYS 21 N -4.32 0.46 -2.20 0.54 2.85 -1.26 -5.12 118.16 109.10 1u96 n LYS 21 Ca -0.07 -1.08 -0.41 0.00 -1.05 0.00 0.00 58.31 55.70 1u96 n LYS 21 Cb 0.27 -0.26 -0.03 0.00 -0.65 0.00 0.00 35.03 34.37 1u96 n LYS 21 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1u96 s PRO 22 N 0.10 3.06 0.00 -1.58 0.02 -1.26 -4.62 135.00 130.72 1u96 s PRO 22 Ca 0.16 0.66 0.00 0.00 0.02 0.00 0.00 61.00 61.84 1u96 s PRO 22 Cb 0.24 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.53 1u96 s PRO 22 CO -0.11 -2.21 0.30 0.00 -0.33 0.00 0.00 177.00 174.65 1u96 n VAL 25 N -0.45 0.00 -2.96 0.00 3.14 -1.26 -5.10 118.33 111.70 1u96 n VAL 25 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1u96 n VAL 25 Cb 0.23 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.95 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 1.34 0.00 -0.01 0.00 3.00 -1.26 -4.90 118.16 116.33 1u96 n LYS 27 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.17 1u96 n LYS 27 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.44 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1u96 h PRO 28 N 0.00 -0.09 -0.02 1.64 0.13 -2.01 -3.12 132.00 128.54 1u96 h PRO 28 Ca 0.00 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1u96 h PRO 28 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1u96 h PRO 28 CO 0.00 0.46 -0.16 1.49 -0.23 0.00 0.00 178.00 179.56 1u96 h GLU 29 N -0.89 0.02 -0.32 0.86 4.57 -1.95 -1.96 114.58 114.91 1u96 h GLU 29 Ca -0.01 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1u96 h GLU 29 Cb 0.59 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1u96 h GLU 29 CO 0.02 0.19 0.04 -0.22 -1.18 0.00 0.00 179.01 177.85 1u96 h LYS 30 N 0.02 0.53 -0.35 1.92 1.63 -1.93 -0.29 116.57 118.10 1u96 h LYS 30 Ca 0.00 -0.15 -0.09 0.00 -0.85 0.00 0.00 60.65 59.56 1u96 h LYS 30 Cb 0.30 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1u96 h LYS 30 CO 0.02 0.63 -0.15 0.93 -3.45 0.00 0.00 179.45 177.44 1u96 h GLU 31 N 0.35 0.72 -0.71 1.90 5.08 -1.41 -1.78 114.58 118.73 1u96 h GLU 31 Ca 0.09 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1u96 h GLU 31 Cb 0.37 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1u96 h GLU 31 CO 0.01 0.91 0.22 0.93 -1.00 0.00 0.00 179.01 180.08 1u96 h GLU 32 N 0.51 1.11 -0.41 2.33 5.08 -1.32 -1.91 114.58 119.96 1u96 h GLU 32 Ca 0.08 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1u96 h GLU 32 Cb 0.68 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1u96 h GLU 32 CO 0.05 0.95 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.92 1u96 h ARG 33 N 1.05 0.73 -0.33 2.33 2.43 -0.99 -1.66 114.38 117.94 1u96 h ARG 33 Ca 0.23 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1u96 h ARG 33 Cb 0.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1u96 h ARG 33 CO -0.01 0.81 0.22 0.22 -1.51 0.00 0.00 179.97 179.71 1u96 h ASP 34 N 0.56 0.38 -0.81 -3.80 1.82 -1.15 -1.58 116.42 111.84 1u96 h ASP 34 Ca 0.12 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1u96 h ASP 34 Cb 0.49 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.36 1u96 h ASP 34 CO 0.02 0.28 0.42 0.74 -1.61 0.00 0.00 179.24 179.08 1u96 h THR 35 N 0.45 1.25 -0.76 2.25 2.02 -1.27 0.47 112.91 117.32 1u96 h THR 35 Ca 0.12 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1u96 h THR 35 Cb -0.05 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 1u96 h THR 35 CO -0.03 0.29 0.50 0.00 0.37 0.00 0.00 175.52 176.65 1u96 h ILE 37 N 1.02 0.36 -0.12 0.00 2.04 -0.92 -1.25 117.51 118.64 1u96 h ILE 37 Ca 0.28 -1.30 -0.12 0.00 1.00 0.00 0.00 64.86 64.72 1u96 h ILE 37 Cb -0.11 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1u96 h ILE 37 CO -0.06 0.18 -0.39 0.25 0.00 0.00 0.00 178.15 178.13 1u96 h LEU 38 N 0.00 0.55 0.06 1.44 5.85 -0.06 -2.34 115.31 120.80 1u96 h LEU 38 Ca -0.00 -0.61 -0.25 0.00 0.84 0.00 0.00 57.88 57.86 1u96 h LEU 38 Cb 0.99 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1u96 h LEU 38 CO 0.02 1.06 -1.33 -0.26 -0.34 0.00 0.00 178.44 177.60 1u96 h PHE 39 N 0.06 0.21 0.15 1.25 -1.00 -1.38 -3.42 116.94 112.81 1u96 h PHE 39 Ca -0.02 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.60 1u96 h PHE 39 Cb 1.02 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.57 1u96 h PHE 39 CO 0.11 1.52 -0.07 -0.91 -1.61 0.00 0.00 178.31 177.35 1u96 h ASN 40 N -0.61 -0.17 -2.90 2.17 2.35 -1.39 -3.51 115.58 111.52 1u96 h ASN 40 Ca -0.32 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1u96 h ASN 40 Cb 1.54 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.95 1u96 h ASN 40 CO -0.06 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 1u96 n GLY 41 N 1.03 0.89 0.04 2.83 0.00 -0.88 -4.60 105.19 104.51 1u96 n GLY 41 Ca -0.02 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.17 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 0.12 0.00 1.61 7.27 -1.26 -4.46 117.38 120.65 1u96 n GLN 42 Ca 0.00 0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.16 1u96 n GLN 42 Cb 0.00 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.02 1u96 n GLN 42 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1u96 n ASP 43 N -1.83 0.00 0.00 1.69 8.00 -1.26 -4.92 116.55 118.23 1u96 n ASP 43 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1u96 n ASP 43 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1u96 n ASP 43 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1u96 n SER 44 N -1.49 0.00 -2.75 -2.24 2.88 -1.26 -2.44 113.62 106.32 1u96 n SER 44 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1u96 n SER 44 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1u96 n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1u96 n GLU 45 N 0.00 1.09 -2.74 -1.46 2.13 -1.26 -5.06 120.64 113.34 1u96 n GLU 45 Ca 0.00 -2.09 -0.01 0.00 0.66 0.00 0.00 57.16 55.73 1u96 n GLU 45 Cb 0.00 -0.73 0.00 0.00 0.27 0.00 0.00 31.44 30.98 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1u96 n LYS 46 N -0.02 -3.38 -0.66 5.31 4.76 -1.02 -4.93 118.16 118.21 1u96 n LYS 46 Ca 0.04 2.72 0.08 0.00 -2.87 0.00 0.00 58.31 58.28 1u96 n LYS 46 Cb 0.76 -5.31 0.34 0.00 -1.84 0.00 0.00 35.03 28.98 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 0.42 0.11 -0.15 0.00 5.02 -1.26 -3.16 118.16 119.14 1u96 n LYS 48 Ca 0.25 0.22 -0.03 0.00 -2.02 0.00 0.00 58.31 56.73 1u96 n LYS 48 Cb 0.99 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.56 1u96 n LYS 48 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u96 h GLU 49 N 0.00 0.20 -0.18 1.97 4.39 -1.99 -0.33 114.58 118.64 1u96 h GLU 49 Ca 0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1u96 h GLU 49 Cb 0.12 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1u96 h GLU 49 CO 0.00 0.13 -0.16 0.74 -1.16 0.00 0.00 179.01 178.56 1u96 h PHE 50 N 0.21 0.32 0.04 4.33 0.04 -1.94 -0.98 116.94 118.95 1u96 h PHE 50 Ca 0.24 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 1u96 h PHE 50 Cb 0.32 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1u96 h PHE 50 CO -0.24 0.46 -0.02 0.82 -0.60 0.00 0.00 178.31 178.74 1u96 h ILE 51 N 0.28 1.19 0.00 -0.55 2.04 -1.32 -1.66 117.51 117.49 1u96 h ILE 51 Ca 0.05 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 1u96 h ILE 51 Cb 0.46 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1u96 h ILE 51 CO 0.03 0.19 -0.27 1.05 0.00 0.00 0.00 178.15 179.15 1u96 h GLU 52 N -0.37 0.00 -0.25 2.37 4.11 -1.01 -2.05 114.58 117.37 1u96 h GLU 52 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1u96 h GLU 52 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1u96 h GLU 52 CO 0.01 0.27 -0.07 0.87 0.07 0.00 0.00 179.01 180.16 1u96 h LYS 53 N 0.00 0.50 0.57 1.06 1.57 -1.02 -0.94 116.57 118.31 1u96 h LYS 53 Ca -0.00 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1u96 h LYS 53 Cb 0.61 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1u96 h LYS 53 CO 0.03 0.72 -0.27 -0.92 -0.57 0.00 0.00 179.45 178.45 1u96 h TYR 54 N 0.24 -0.71 -0.92 -1.35 3.20 -1.01 -1.12 116.97 115.31 1u96 h TYR 54 Ca 0.06 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.07 1u96 h TYR 54 Cb 0.54 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.97 1u96 h TYR 54 CO 0.05 -0.41 0.59 1.57 -1.64 0.00 0.00 178.16 178.32 1u96 h LYS 55 N -0.84 0.67 -0.43 1.82 2.10 -1.41 0.20 116.57 118.68 1u96 h LYS 55 Ca -0.08 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.44 1u96 h LYS 55 Cb 0.62 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 1u96 h LYS 55 CO 0.13 0.44 -0.09 1.49 -2.00 0.00 0.00 179.45 179.42 1u96 h GLU 56 N 0.69 0.75 0.00 0.07 4.81 -0.86 -1.91 114.58 118.14 1u96 h GLU 56 Ca 0.47 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1u96 h GLU 56 Cb 0.78 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1u96 h GLU 56 CO -0.23 0.82 -0.06 0.00 -0.73 0.00 0.00 179.01 178.81 1u96 h MET 58 N 0.00 0.00 0.00 0.00 2.86 -0.03 -3.35 114.93 114.41 1u96 h MET 58 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u96 h MET 58 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1u96 h MET 58 CO 0.00 0.00 0.00 0.36 1.06 0.00 0.00 176.91 178.33 1u96 n LYS 59 N -4.27 0.23 0.28 1.72 -0.00 -0.78 -1.41 118.16 113.92 1u96 n LYS 59 Ca -0.01 0.09 0.17 0.00 -0.00 0.00 0.00 58.31 58.56 1u96 n LYS 59 Cb 0.03 -1.50 0.72 0.00 -0.00 0.00 0.00 35.03 34.28 1u96 n LYS 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1u96 h GLY 60 N 3.75 0.00 0.00 2.58 0.00 -1.59 -3.36 103.07 104.45 1u96 h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u96 h GLY 60 CO 0.00 0.00 -0.50 2.98 0.00 0.00 0.00 176.54 179.02 1u96 n TYR 61 N -3.18 0.00 0.00 5.60 4.19 -1.15 -5.07 117.16 117.54 1u96 n TYR 61 Ca -0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1u96 n TYR 61 Cb 0.29 0.06 0.00 0.00 0.49 0.00 0.00 39.34 40.18 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1u96 n GLY 62 N 2.43 0.78 0.49 2.98 0.00 -0.50 -5.13 105.19 106.24 1u96 n GLY 62 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 1.61 0.00 -3.40 1.61 7.35 -1.26 -5.05 117.46 118.33 1u96 n PHE 63 Ca 0.00 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.43 1u96 n PHE 63 Cb 0.00 0.12 -0.09 0.00 0.35 0.00 0.00 39.48 39.86 1u96 n PHE 63 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1u96 n GLU 64 N -1.38 0.66 -3.90 -4.13 -0.58 -1.26 -5.09 120.64 104.96 1u96 n GLU 64 Ca 0.00 -3.43 -0.15 0.00 -0.42 0.00 0.00 57.16 53.17 1u96 n GLU 64 Cb 0.00 -1.65 -0.15 0.00 -0.57 0.00 0.00 31.44 29.07 1u96 n GLU 64 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u96 s VAL 65 N -0.61 0.08 0.16 2.62 1.01 -1.26 -4.53 120.40 117.88 1u96 s VAL 65 Ca 0.33 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 1u96 s VAL 65 Cb 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.23 1u96 s VAL 65 CO -0.16 0.08 0.76 -2.16 0.00 0.00 0.00 175.10 173.62 1u96 s PRO 66 N 0.56 4.54 0.12 2.72 0.05 -1.26 -5.01 135.00 136.71 1u96 s PRO 66 Ca -0.05 1.12 -0.25 0.00 0.05 0.00 0.00 61.00 61.87 1u96 s PRO 66 Cb -0.08 -3.25 0.08 0.00 0.05 0.00 0.00 34.50 31.31 1u96 s PRO 66 CO -0.01 0.57 1.08 -1.54 0.05 0.00 0.00 177.00 177.15 1u96 s SER 67 N -1.16 -0.07 0.00 6.66 1.04 -1.26 -4.88 113.70 114.03 1u96 s SER 67 Ca 0.35 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1u96 s SER 67 Cb -0.23 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1u96 s SER 67 CO 0.26 -0.76 0.00 0.00 0.98 0.00 0.00 173.24 173.71 1u96 n ALA 68 N -0.59 0.00 0.42 5.32 0.00 -1.26 -5.19 120.51 119.20 1u96 n ALA 68 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1u96 n ALA 68 Cb 0.60 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.10 1u96 n ALA 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79