#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 0.00-13.29 -2.76 2.03 -1.04 -1.26 -4.97 114.28 92.99 1u96 n THR 2 Ca 0.00 3.03 -0.33 0.00 -2.04 0.00 0.00 64.05 64.71 1u96 n THR 2 Cb 0.00 -6.31 -0.06 0.00 -1.82 0.00 0.00 70.33 62.13 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 -0.65 4.17 0.54 -2.82 2.02 -1.26 -5.03 118.70 115.67 1u96 s GLU 3 Ca -0.12 1.13 -0.19 0.00 0.02 0.00 0.00 54.97 55.80 1u96 s GLU 3 Cb 0.01 -2.17 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 1u96 s GLU 3 CO 0.33 -0.08 1.11 0.95 0.02 0.00 0.00 175.26 177.59 1u96 s THR 4 N -2.20 3.32 -0.30 3.63 -4.23 -1.26 -5.04 115.64 109.55 1u96 s THR 4 Ca 0.62 0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 61.87 1u96 s THR 4 Cb -0.10 -3.32 0.18 0.00 1.34 0.00 0.00 72.50 70.61 1u96 s THR 4 CO 0.15 -0.20 0.81 -0.62 -0.54 0.00 0.00 174.62 174.22 1u96 s ASP 5 N -1.89 -0.97 -0.82 3.99 -1.08 -1.26 -5.11 116.67 109.54 1u96 s ASP 5 Ca 0.71 0.60 -0.15 0.00 -0.52 0.00 0.00 52.55 53.19 1u96 s ASP 5 Cb -0.22 1.81 0.20 0.00 -1.46 0.00 0.00 42.92 43.25 1u96 s ASP 5 CO 0.27 -0.18 0.80 -0.54 0.52 0.00 0.00 175.17 176.03 1u96 s LYS 6 N 2.90 3.55 -0.10 4.34 3.01 -1.26 -4.81 119.74 127.37 1u96 s LYS 6 Ca 0.11 -2.30 -0.05 0.00 -1.01 0.00 0.00 55.97 52.72 1u96 s LYS 6 Cb -0.13 -4.48 0.02 0.00 -1.01 0.00 0.00 37.83 32.23 1u96 s LYS 6 CO -0.17 -1.36 0.10 1.63 0.51 0.00 0.00 175.35 176.06 1u96 n LYS 7 N 4.44 -2.70 -3.89 1.68 5.02 -1.26 -4.99 118.16 116.46 1u96 n LYS 7 Ca 0.13 2.21 -0.30 0.00 -2.02 0.00 0.00 58.31 58.33 1u96 n LYS 7 Cb 0.47 -2.94 -0.15 0.00 -0.02 0.00 0.00 35.03 32.39 1u96 n LYS 7 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1u96 s GLN 8 N -0.53 1.24 0.00 1.97 2.00 -1.26 -4.81 119.66 118.26 1u96 s GLN 8 Ca -0.11 -1.33 0.00 0.00 -2.00 0.00 0.00 55.36 51.91 1u96 s GLN 8 Cb 0.01 -2.59 0.00 0.00 0.80 0.00 0.00 33.01 31.22 1u96 s GLN 8 CO 0.39 -0.86 0.00 -0.85 -0.50 0.00 0.00 175.29 173.47 1u96 n GLU 9 N 4.59 0.00 -1.98 1.67 0.28 -1.26 -5.10 120.64 118.84 1u96 n GLU 9 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.56 1u96 n GLU 9 Cb 0.43 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.27 1u96 n GLU 9 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1u96 s GLN 10 N 0.00 3.12 -0.02 3.44 2.00 -1.26 -4.74 119.66 122.20 1u96 s GLN 10 Ca 0.00 1.27 0.00 0.00 -2.00 0.00 0.00 55.36 54.63 1u96 s GLN 10 Cb 0.00 -4.26 -0.01 0.00 0.80 0.00 0.00 33.01 29.54 1u96 s GLN 10 CO 0.00 -2.12 -0.01 -1.91 -0.50 0.00 0.00 175.29 170.75 1u96 n GLU 11 N 8.62 0.95 -1.24 1.67 2.13 -1.26 -5.14 120.64 126.37 1u96 n GLU 11 Ca 0.23 0.01 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1u96 n GLU 11 Cb 0.48 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 31.15 1u96 n GLU 11 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1u96 n ASN 12 N -2.43 -6.93 0.00 4.31 2.85 -1.26 -4.64 115.26 107.16 1u96 n ASN 12 Ca -0.03 0.94 0.06 0.00 -0.11 0.00 0.00 54.58 55.44 1u96 n ASN 12 Cb 0.54 -3.30 0.28 0.00 1.24 0.00 0.00 39.78 38.54 1u96 n ASN 12 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1u96 n HIS 13 N -0.43 0.00 -3.73 1.20 8.25 -1.26 -4.39 115.22 114.86 1u96 n HIS 13 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1u96 n HIS 13 Cb 0.00 -0.44 -0.17 0.00 1.12 0.00 0.00 29.99 30.51 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 -2.87 0.90 0.24 -1.41 0.00 -1.26 -5.14 121.76 112.21 1u96 s ALA 14 Ca 0.08 -0.58 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1u96 s ALA 14 Cb 0.08 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1u96 s ALA 14 CO 0.22 -1.07 0.02 -1.21 0.00 0.00 0.00 175.76 173.72 1u96 s GLU 15 N 1.90 2.40 -0.22 0.00 2.02 -1.26 -4.92 118.70 118.63 1u96 s GLU 15 Ca 0.00 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 53.61 1u96 s GLU 15 Cb -0.16 -2.26 0.03 0.00 0.10 0.00 0.00 34.13 31.84 1u96 s GLU 15 CO -0.08 0.39 0.18 0.00 0.02 0.00 0.00 175.26 175.78 1u96 s GLU 17 N -0.94 1.29 0.33 0.00 4.04 -1.26 -5.18 118.70 116.98 1u96 s GLU 17 Ca -0.21 -1.69 0.02 0.00 0.04 0.00 0.00 54.97 53.13 1u96 s GLU 17 Cb 0.01 0.05 -0.00 0.00 0.02 0.00 0.00 34.13 34.21 1u96 s GLU 17 CO 0.78 -0.35 0.40 -0.25 -1.84 0.00 0.00 175.26 174.00 1u96 n ASP 18 N -0.35 -1.08 -2.62 0.83 9.92 -1.26 -4.35 116.55 117.64 1u96 n ASP 18 Ca 0.01 -2.91 -0.06 0.00 -0.53 0.00 0.00 54.79 51.30 1u96 n ASP 18 Cb 0.66 2.13 -0.05 0.00 -0.64 0.00 0.00 41.12 43.23 1u96 n ASP 18 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1u96 n LYS 19 N -0.57 -4.52 -0.47 -1.24 5.02 -1.26 -4.84 118.16 110.28 1u96 n LYS 19 Ca 0.03 3.41 -0.09 0.00 -2.02 0.00 0.00 58.31 59.64 1u96 n LYS 19 Cb 0.57 -4.97 0.07 0.00 -0.02 0.00 0.00 35.03 30.68 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 1.73 1.54 -2.98 1.97 -0.04 -1.26 -4.86 135.00 131.09 1u96 n PRO 20 Ca -0.41 -1.17 -0.01 0.00 -0.04 0.00 0.00 63.50 61.88 1u96 n PRO 20 Cb 0.63 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1u96 n PRO 20 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1u96 n LYS 21 N -0.12 -1.34 -1.54 0.54 4.81 -1.26 -4.76 118.16 114.49 1u96 n LYS 21 Ca 0.23 1.50 -0.29 0.00 -0.87 0.00 0.00 58.31 58.87 1u96 n LYS 21 Cb 0.94 -5.60 -0.08 0.00 0.02 0.00 0.00 35.03 30.31 1u96 n LYS 21 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1u96 n PRO 22 N -1.64 0.63 -0.36 1.64 -0.04 -1.26 -4.36 135.00 129.61 1u96 n PRO 22 Ca 0.01 -0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1u96 n PRO 22 Cb 0.50 -2.93 -0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u96 n VAL 25 N 0.56 0.00 -1.81 0.00 3.14 -1.26 -5.12 118.33 113.84 1u96 n VAL 25 Ca 0.08 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.04 1u96 n VAL 25 Cb 0.33 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.08 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 5.45 0.00 0.14 0.00 5.02 -1.26 -4.86 118.16 122.66 1u96 n LYS 27 Ca 0.17 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1u96 n LYS 27 Cb 0.39 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.53 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 0.00 -0.49 1.97 0.13 -2.01 -3.22 132.00 128.38 1u96 h PRO 28 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1u96 h PRO 28 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1u96 h PRO 28 CO 0.00 0.58 0.05 1.49 -0.23 0.00 0.00 178.00 179.88 1u96 h GLU 29 N 0.00 0.78 -0.35 0.86 4.57 -1.96 -1.79 114.58 116.69 1u96 h GLU 29 Ca -0.01 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 57.87 1u96 h GLU 29 Cb 1.23 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1u96 h GLU 29 CO 0.08 0.76 -0.25 0.87 -1.18 0.00 0.00 179.01 179.28 1u96 h LYS 30 N 0.74 0.71 -0.03 1.92 1.79 -1.89 -0.75 116.57 119.06 1u96 h LYS 30 Ca 0.15 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1u96 h LYS 30 Cb 0.39 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1u96 h LYS 30 CO 0.01 0.89 -0.02 0.93 -1.08 0.00 0.00 179.45 180.18 1u96 h GLU 31 N 0.62 0.08 0.21 3.15 5.08 -1.55 -1.33 114.58 120.84 1u96 h GLU 31 Ca 0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1u96 h GLU 31 Cb 0.75 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1u96 h GLU 31 CO 0.06 0.50 -0.10 0.93 -1.00 0.00 0.00 179.01 179.40 1u96 h GLU 32 N -0.35 -0.28 -0.68 2.33 4.39 -1.33 -1.66 114.58 117.01 1u96 h GLU 32 Ca 0.01 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.79 1u96 h GLU 32 Cb 0.49 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 1u96 h GLU 32 CO 0.01 -0.11 0.38 -0.09 -1.16 0.00 0.00 179.01 178.04 1u96 h ARG 33 N -0.39 0.67 -0.67 2.33 2.43 -1.21 -1.59 114.38 115.95 1u96 h ARG 33 Ca -0.03 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1u96 h ARG 33 Cb 0.30 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1u96 h ARG 33 CO 0.05 0.44 0.41 0.22 -1.51 0.00 0.00 179.97 179.58 1u96 h ASP 34 N 0.69 0.65 -0.54 -3.80 3.58 -1.08 -1.29 116.42 114.64 1u96 h ASP 34 Ca 0.31 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.79 1u96 h ASP 34 Cb 0.21 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1u96 h ASP 34 CO -0.19 0.44 0.32 0.74 -2.88 0.00 0.00 179.24 177.67 1u96 h THR 35 N 0.79 1.05 -0.79 2.25 2.02 -0.38 0.05 112.91 117.90 1u96 h THR 35 Ca 0.28 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1u96 h THR 35 Cb 0.07 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1u96 h THR 35 CO -0.13 0.12 0.46 0.00 0.37 0.00 0.00 175.52 176.34 1u96 h ILE 37 N 1.09 0.88 -0.03 0.00 2.04 -0.47 -0.32 117.51 120.69 1u96 h ILE 37 Ca 0.28 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 1u96 h ILE 37 Cb -0.03 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1u96 h ILE 37 CO -0.05 0.36 -0.08 0.25 0.00 0.00 0.00 178.15 178.63 1u96 h LEU 38 N 0.00 0.13 0.11 1.44 6.46 0.03 -1.96 115.31 121.52 1u96 h LEU 38 Ca -0.00 -0.61 -0.01 0.00 -0.12 0.00 0.00 57.88 57.15 1u96 h LEU 38 Cb 0.89 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1u96 h LEU 38 CO 0.05 0.71 -0.05 -0.26 -0.62 0.00 0.00 178.44 178.27 1u96 h PHE 39 N -0.45 -0.13 0.16 1.25 0.04 -1.36 -3.41 116.94 113.04 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 0.70 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1u96 h PHE 39 CO 0.13 0.15 -0.08 -0.91 -0.60 0.00 0.00 178.31 177.00 1u96 h ASN 40 N -1.00 -0.18 -2.79 2.17 2.35 -1.23 -3.51 115.58 111.39 1u96 h ASN 40 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1u96 h ASN 40 Cb 0.34 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1u96 h ASN 40 CO 0.02 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 1u96 n GLY 41 N 1.00 -0.11 0.00 2.83 0.00 -0.74 -4.88 105.19 103.30 1u96 n GLY 41 Ca -0.03 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.43 0.37 -3.44 1.61 6.02 -1.26 -4.19 117.38 115.06 1u96 n GLN 42 Ca 0.00 0.05 0.01 0.00 -0.01 0.00 0.00 57.00 57.05 1u96 n GLN 42 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 1u96 n GLN 42 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1u96 s ASP 43 N -2.55 -0.84 0.00 1.08 2.15 -1.26 -5.01 116.67 110.24 1u96 s ASP 43 Ca 0.24 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.26 1u96 s ASP 43 Cb 0.17 1.91 0.00 0.00 -0.30 0.00 0.00 42.92 44.70 1u96 s ASP 43 CO 0.37 -0.16 0.22 -0.24 -0.17 0.00 0.00 175.17 175.19 1u96 n SER 44 N 5.22 -0.01 -1.80 -0.34 2.88 -1.26 -4.97 113.62 113.34 1u96 n SER 44 Ca -0.09 -0.43 -0.19 0.00 -1.33 0.00 0.00 58.87 56.82 1u96 n SER 44 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.00 -1.44 -0.09 -1.46 4.71 -1.26 -4.84 120.64 116.26 1u96 n GLU 45 Ca -0.00 1.08 -0.12 0.00 -0.01 0.00 0.00 57.16 58.11 1u96 n GLU 45 Cb 0.22 -5.51 -0.10 0.00 -1.01 0.00 0.00 31.44 25.03 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1u96 n LYS 46 N -2.62 0.85 0.20 3.49 4.76 -1.26 -4.47 118.16 119.10 1u96 n LYS 46 Ca -0.21 0.07 0.09 0.00 -2.87 0.00 0.00 58.31 55.39 1u96 n LYS 46 Cb 0.65 -1.40 0.22 0.00 -1.84 0.00 0.00 35.03 32.66 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u96 h LYS 48 N 0.00 0.31 -0.39 0.00 1.57 -1.97 -0.50 116.57 115.58 1u96 h LYS 48 Ca -0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1u96 h LYS 48 Cb 1.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1u96 h LYS 48 CO 0.03 0.21 -0.05 0.93 -0.57 0.00 0.00 179.45 179.99 1u96 h GLU 49 N 0.32 0.73 -0.24 3.15 4.39 -1.83 -2.10 114.58 119.00 1u96 h GLU 49 Ca 0.37 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1u96 h GLU 49 Cb 0.97 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1u96 h GLU 49 CO -0.10 0.85 -0.29 0.74 -1.16 0.00 0.00 179.01 179.05 1u96 h PHE 50 N 0.55 0.55 0.49 4.33 -1.00 -1.32 -1.36 116.94 119.17 1u96 h PHE 50 Ca 0.11 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 1u96 h PHE 50 Cb 0.55 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1u96 h PHE 50 CO 0.04 0.73 -0.24 0.82 -1.61 0.00 0.00 178.31 178.06 1u96 h ILE 51 N 0.42 0.44 -0.81 -0.55 2.04 -1.12 -1.16 117.51 116.78 1u96 h ILE 51 Ca 0.06 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1u96 h ILE 51 Cb 0.72 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1u96 h ILE 51 CO 0.06 0.05 0.54 -0.33 0.00 0.00 0.00 178.15 178.46 1u96 h GLU 52 N -0.89 1.05 -0.72 2.37 4.39 -1.39 -1.71 114.58 117.67 1u96 h GLU 52 Ca -0.07 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1u96 h GLU 52 Cb 0.59 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1u96 h GLU 52 CO 0.11 0.70 0.30 -0.22 -1.16 0.00 0.00 179.01 178.74 1u96 h LYS 53 N 1.08 1.06 0.59 2.33 3.64 -1.17 -1.27 116.57 122.83 1u96 h LYS 53 Ca 0.30 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1u96 h LYS 53 Cb -0.10 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1u96 h LYS 53 CO -0.07 0.85 -0.28 -0.92 -2.27 0.00 0.00 179.45 176.76 1u96 h TYR 54 N 1.04 -0.74 -0.71 1.91 3.20 -0.33 0.77 116.97 122.11 1u96 h TYR 54 Ca 0.25 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.21 1u96 h TYR 54 Cb 0.17 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1u96 h TYR 54 CO 0.02 -0.41 0.47 0.87 -1.64 0.00 0.00 178.16 177.47 1u96 h LYS 55 N -0.98 0.49 0.03 1.82 1.57 -1.31 0.15 116.57 118.33 1u96 h LYS 55 Ca -0.08 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.45 1u96 h LYS 55 Cb 0.66 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1u96 h LYS 55 CO 0.13 0.32 -0.98 1.49 -0.57 0.00 0.00 179.45 179.85 1u96 h GLU 56 N 0.50 0.19 0.00 3.15 4.81 -1.11 -1.69 114.58 120.44 1u96 h GLU 56 Ca 0.33 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1u96 h GLU 56 Cb 0.62 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1u96 h GLU 56 CO -0.11 1.02 -0.35 0.00 -0.73 0.00 0.00 179.01 178.84 1u96 n MET 58 N -1.89 0.71 0.00 0.00 2.81 0.40 -4.39 117.12 114.75 1u96 n MET 58 Ca 0.05 0.09 0.04 0.00 -1.81 0.00 0.00 57.70 56.07 1u96 n MET 58 Cb 0.40 -1.41 0.19 0.00 -0.71 0.00 0.00 33.22 31.69 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 -2.98 0.07 -0.08 0.03 0.00 -0.64 -2.37 118.16 112.19 1u96 n LYS 59 Ca -0.34 0.26 0.18 0.00 -0.00 0.00 0.00 58.31 58.42 1u96 n LYS 59 Cb 0.91 -1.50 0.61 0.00 -0.00 0.00 0.00 35.03 35.05 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 1.32 0.33 0.00 2.58 0.00 -1.77 -3.21 103.07 102.32 1u96 h GLY 60 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1u96 h GLY 60 CO 0.00 0.03 -0.53 -1.72 0.00 0.00 0.00 176.54 174.32 1u96 n TYR 61 N -4.42 0.00 -2.33 5.60 4.01 -1.12 -5.10 117.16 113.80 1u96 n TYR 61 Ca 0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.83 1u96 n TYR 61 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 1.32 -2.26 0.10 2.72 0.00 -1.00 -4.98 105.19 101.10 1u96 n GLY 62 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.40 1u96 n GLY 62 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1u96 h PHE 63 N 1.58 0.34 0.00 1.61 -0.00 -1.94 -3.44 116.94 115.10 1u96 h PHE 63 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.97 57.72 1u96 h PHE 63 Cb 0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.30 1u96 h PHE 63 CO 0.04 1.31 0.00 0.39 -0.00 0.00 0.00 178.31 180.05 1u96 n GLU 64 N -3.38 1.63 -1.48 6.09 -0.58 -1.26 -5.10 120.64 116.56 1u96 n GLU 64 Ca -0.16 0.00 -0.55 0.00 -0.42 0.00 0.00 57.16 56.03 1u96 n GLU 64 Cb 1.03 -0.17 -0.08 0.00 -0.57 0.00 0.00 31.44 31.65 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 -0.10 0.17 0.27 2.62 0.31 -1.26 -4.61 118.33 115.73 1u96 n VAL 65 Ca 0.00 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.09 1u96 n VAL 65 Cb 0.00 -1.22 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 1u96 n VAL 65 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1u96 h PRO 66 N 9.91 -0.68 -6.01 5.55 0.11 -1.93 -3.47 132.00 135.48 1u96 h PRO 66 Ca -0.29 0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.25 1u96 h PRO 66 Cb 1.35 0.16 -0.14 0.00 0.11 0.00 0.00 31.00 32.47 1u96 h PRO 66 CO 1.02 -0.45 -0.70 -1.12 -0.21 0.00 0.00 178.00 176.53 1u96 s SER 67 N -3.67 3.66 0.14 -2.05 0.01 -1.26 -5.10 113.70 105.42 1u96 s SER 67 Ca -0.10 -1.15 0.07 0.00 1.31 0.00 0.00 55.95 56.08 1u96 s SER 67 Cb 0.01 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1u96 s SER 67 CO 0.31 -0.13 -0.16 0.00 0.41 0.00 0.00 173.24 173.67 1u96 s ALA 68 N -2.59 1.70 0.00 1.44 0.00 -1.26 -4.91 121.76 116.13 1u96 s ALA 68 Ca 0.32 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1u96 s ALA 68 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1u96 s ALA 68 CO 0.16 0.15 0.00 -1.71 0.00 0.00 0.00 175.76 174.36