#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 0.05 0.10 2.03 -1.32 -1.26 -5.17 115.64 110.07 1u96 s THR 2 Ca 0.00 -0.42 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1u96 s THR 2 Cb 0.00 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1u96 s THR 2 CO 0.00 -0.23 0.21 -1.61 -2.21 0.00 0.00 174.62 170.77 1u96 s GLU 3 N -2.67 3.30 0.10 7.08 0.41 -1.26 -5.12 118.70 120.54 1u96 s GLU 3 Ca -0.04 -0.58 0.06 0.00 -0.41 0.00 0.00 54.97 54.00 1u96 s GLU 3 Cb -0.00 -2.93 -0.03 0.00 -1.78 0.00 0.00 34.13 29.39 1u96 s GLU 3 CO -0.04 0.56 -0.15 0.95 -0.49 0.00 0.00 175.26 176.10 1u96 s THR 4 N -1.59 1.30 -0.13 3.63 -4.23 -1.26 -5.16 115.64 108.20 1u96 s THR 4 Ca 0.34 -1.55 -0.21 0.00 -1.18 0.00 0.00 61.69 59.08 1u96 s THR 4 Cb -0.12 -1.38 0.05 0.00 1.34 0.00 0.00 72.50 72.40 1u96 s THR 4 CO 0.27 -0.31 0.53 1.51 -0.54 0.00 0.00 174.62 176.08 1u96 s ASP 5 N -2.14 -0.51 -0.25 3.99 -4.77 -1.26 -5.14 116.67 106.59 1u96 s ASP 5 Ca 0.05 0.82 -0.03 0.00 -3.30 0.00 0.00 52.55 50.09 1u96 s ASP 5 Cb -0.07 0.83 0.11 0.00 -1.09 0.00 0.00 42.92 42.70 1u96 s ASP 5 CO 0.03 -0.33 0.23 -0.75 0.70 0.00 0.00 175.17 175.05 1u96 s LYS 6 N -0.34 0.23 -0.49 2.11 2.20 -1.26 -5.10 119.74 117.09 1u96 s LYS 6 Ca -0.05 -0.04 -0.27 0.00 -0.36 0.00 0.00 55.97 55.24 1u96 s LYS 6 Cb -0.03 -1.04 -0.02 0.00 -1.51 0.00 0.00 37.83 35.23 1u96 s LYS 6 CO 0.03 -0.84 1.84 0.21 -0.36 0.00 0.00 175.35 176.23 1u96 s LYS 7 N 2.29 2.91 0.00 4.03 2.47 -1.26 -4.51 119.74 125.67 1u96 s LYS 7 Ca 0.08 0.97 0.00 0.00 -1.56 0.00 0.00 55.97 55.46 1u96 s LYS 7 Cb -0.15 -4.31 0.00 0.00 -1.46 0.00 0.00 37.83 31.91 1u96 s LYS 7 CO -0.23 -2.38 0.00 0.94 0.16 0.00 0.00 175.35 173.84 1u96 n GLN 8 N 8.84 0.00 -2.03 4.03 7.27 -1.26 -5.02 117.38 129.21 1u96 n GLN 8 Ca 0.22 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 57.09 1u96 n GLN 8 Cb 0.50 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.11 1u96 n GLN 8 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1u96 n GLU 9 N -0.96 -1.62 -3.95 3.69 1.02 -1.26 -4.95 120.64 112.61 1u96 n GLU 9 Ca 0.00 1.04 -0.31 0.00 -0.02 0.00 0.00 57.16 57.87 1u96 n GLU 9 Cb 0.00 -5.57 -0.15 0.00 -0.02 0.00 0.00 31.44 25.70 1u96 n GLU 9 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1u96 s GLN 10 N -4.43 1.48 -0.20 3.49 -1.52 -1.26 -4.95 119.66 112.28 1u96 s GLN 10 Ca 0.00 -1.36 -0.02 0.00 -1.95 0.00 0.00 55.36 52.03 1u96 s GLN 10 Cb 0.00 -2.73 -0.12 0.00 -0.22 0.00 0.00 33.01 29.94 1u96 s GLN 10 CO 0.00 -0.79 -0.20 -1.91 -0.25 0.00 0.00 175.29 172.15 1u96 n GLU 11 N 4.53 0.47 -4.25 2.91 4.07 -1.26 -4.98 120.64 122.13 1u96 n GLU 11 Ca -0.05 0.13 -0.24 0.00 -0.06 0.00 0.00 57.16 56.95 1u96 n GLU 11 Cb 0.43 -1.34 -0.17 0.00 -0.06 0.00 0.00 31.44 30.30 1u96 n GLU 11 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1u96 s ASN 12 N -6.13 1.63 0.00 4.31 2.47 -1.26 -5.07 114.94 110.89 1u96 s ASN 12 Ca -0.27 -0.24 0.00 0.00 0.42 0.00 0.00 52.86 52.78 1u96 s ASN 12 Cb 0.08 -0.70 0.00 0.00 -1.45 0.00 0.00 41.25 39.18 1u96 s ASN 12 CO 0.42 -0.04 0.00 1.41 -3.72 0.00 0.00 177.10 175.17 1u96 n HIS 13 N 4.25 0.00 0.00 0.43 8.25 -1.26 -5.03 115.22 121.86 1u96 n HIS 13 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1u96 n HIS 13 Cb 0.51 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.54 0.00 -1.75 -1.41 0.00 -1.26 -5.13 120.51 109.43 1u96 n ALA 14 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1u96 n ALA 14 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1u96 n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1u96 s GLU 15 N -0.98 3.00 0.00 0.00 -1.05 -1.26 -4.94 118.70 113.48 1u96 s GLU 15 Ca 0.00 2.12 0.00 0.00 -0.15 0.00 0.00 54.97 56.94 1u96 s GLU 15 Cb 0.00 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 1u96 s GLU 15 CO 0.00 -1.26 0.70 0.00 0.95 0.00 0.00 175.26 175.64 1u96 s GLU 17 N 0.00 1.75 0.00 0.00 -1.05 -1.26 -5.01 118.70 113.13 1u96 s GLU 17 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1u96 s GLU 17 Cb 0.00 -2.16 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 1u96 s GLU 17 CO 0.00 -1.51 0.00 -0.25 0.95 0.00 0.00 175.26 174.45 1u96 n ASP 18 N -3.05 1.52 -3.11 0.83 9.92 -1.26 -4.15 116.55 117.25 1u96 n ASP 18 Ca 0.11 -0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1u96 n ASP 18 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1u96 n ASP 18 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1u96 n LYS 19 N 0.00 -0.60 -0.01 -1.24 2.85 -1.26 -4.85 118.16 113.04 1u96 n LYS 19 Ca 0.00 0.91 -0.01 0.00 -1.05 0.00 0.00 58.31 58.16 1u96 n LYS 19 Cb 0.00 -0.90 -0.00 0.00 -0.65 0.00 0.00 35.03 33.47 1u96 n LYS 19 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1u96 h PRO 20 N 4.06 0.00 -2.03 -1.58 0.13 -1.92 -3.46 132.00 127.20 1u96 h PRO 20 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1u96 h PRO 20 Cb 0.65 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.38 1u96 h PRO 20 CO 0.00 0.00 -1.03 1.63 -0.23 0.00 0.00 178.00 178.37 1u96 n LYS 21 N -2.68 1.06 -0.76 0.86 4.01 -1.26 -5.06 118.16 114.32 1u96 n LYS 21 Ca -0.01 -3.49 -0.29 0.00 -0.51 0.00 0.00 58.31 54.00 1u96 n LYS 21 Cb 0.05 -1.44 0.20 0.00 -0.51 0.00 0.00 35.03 33.33 1u96 n LYS 21 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1u96 s PRO 22 N -1.54 0.10 1.30 1.97 0.04 -1.26 -4.58 135.00 131.03 1u96 s PRO 22 Ca 0.37 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1u96 s PRO 22 Cb 0.19 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 33.06 1u96 s PRO 22 CO -0.09 -3.08 0.00 0.00 0.04 0.00 0.00 177.00 173.87 1u96 n VAL 25 N -2.03 0.00 -3.68 0.00 0.31 -1.26 -5.09 118.33 106.58 1u96 n VAL 25 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1u96 n VAL 25 Cb 0.03 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.90 1u96 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u96 n LYS 27 N 2.15 0.00 0.00 0.00 3.00 -1.26 -4.92 118.16 117.12 1u96 n LYS 27 Ca -0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 57.97 1u96 n LYS 27 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.46 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 0.47 0.01 1.64 0.13 -1.99 -2.66 132.00 129.59 1u96 h PRO 28 Ca 0.00 -0.47 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1u96 h PRO 28 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1u96 h PRO 28 CO 0.00 1.12 -0.00 0.93 -0.23 0.00 0.00 178.00 179.82 1u96 h GLU 29 N 0.01 -0.01 -0.67 0.86 3.07 -1.95 -2.00 114.58 113.89 1u96 h GLU 29 Ca -0.07 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1u96 h GLU 29 Cb 1.32 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.20 1u96 h GLU 29 CO 0.13 0.23 0.45 -0.22 -1.40 0.00 0.00 179.01 178.19 1u96 h LYS 30 N -0.25 0.86 0.36 2.33 3.64 -1.94 -0.91 116.57 120.68 1u96 h LYS 30 Ca -0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1u96 h LYS 30 Cb 0.24 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1u96 h LYS 30 CO 0.00 0.57 -0.18 1.49 -2.27 0.00 0.00 179.45 179.07 1u96 h GLU 31 N 0.89 -0.47 0.00 1.90 4.81 -1.31 -1.72 114.58 118.68 1u96 h GLU 31 Ca 0.25 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1u96 h GLU 31 Cb -0.07 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1u96 h GLU 31 CO -0.06 -0.20 -0.08 0.93 -0.73 0.00 0.00 179.01 178.87 1u96 h GLU 32 N -0.70 0.00 0.48 1.92 5.08 -1.16 -1.34 114.58 118.86 1u96 h GLU 32 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1u96 h GLU 32 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1u96 h GLU 32 CO 0.08 0.08 -0.23 -0.09 -1.00 0.00 0.00 179.01 177.85 1u96 h ARG 33 N 0.00 -0.62 -0.71 2.33 2.43 -0.98 -1.52 114.38 115.30 1u96 h ARG 33 Ca -0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1u96 h ARG 33 Cb 0.16 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1u96 h ARG 33 CO 0.01 -0.34 0.47 -0.44 -1.51 0.00 0.00 179.97 178.16 1u96 h ASP 34 N -1.07 0.70 -0.10 -3.80 3.32 -1.18 -1.92 116.42 112.36 1u96 h ASP 34 Ca -0.07 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1u96 h ASP 34 Cb 0.57 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1u96 h ASP 34 CO 0.11 0.47 0.03 0.74 -1.72 0.00 0.00 179.24 178.87 1u96 h THR 35 N 0.81 1.19 -0.39 0.35 2.02 -1.26 -1.07 112.91 114.56 1u96 h THR 35 Ca 0.29 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1u96 h THR 35 Cb 0.14 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1u96 h THR 35 CO -0.09 0.17 0.19 0.00 0.37 0.00 0.00 175.52 176.16 1u96 h ILE 37 N 0.40 1.08 -0.10 0.00 2.04 -1.31 0.63 117.51 120.24 1u96 h ILE 37 Ca 0.17 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1u96 h ILE 37 Cb 0.07 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1u96 h ILE 37 CO -0.12 0.08 -0.11 -0.07 0.00 0.00 0.00 178.15 177.94 1u96 h LEU 38 N -0.18 0.14 0.00 1.44 3.38 -1.04 -2.61 115.31 116.45 1u96 h LEU 38 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1u96 h LEU 38 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1u96 h LEU 38 CO 0.01 0.28 0.00 0.49 0.09 0.00 0.00 178.44 179.31 1u96 n PHE 39 N -4.33 0.00 -2.78 1.13 3.01 -0.12 -4.83 117.46 109.54 1u96 n PHE 39 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1u96 n PHE 39 Cb 0.23 -0.34 0.05 0.00 -0.01 0.00 0.00 39.48 39.41 1u96 n PHE 39 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1u96 n ASN 40 N -1.67 1.24 0.00 4.37 3.02 -0.15 -5.09 115.26 116.97 1u96 n ASN 40 Ca 0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 1u96 n ASN 40 Cb 0.00 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1u96 n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u96 n GLY 41 N -0.56 3.74 4.42 7.41 0.00 0.20 -4.40 105.19 116.01 1u96 n GLY 41 Ca 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.70 1.61 7.27 -1.26 -3.89 117.38 120.41 1u96 n GLN 42 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 1u96 n GLN 42 Cb 0.00 -1.83 -0.02 0.00 2.41 0.00 0.00 30.24 30.80 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 0.11 -0.32 -3.98 1.69 5.75 -1.26 -4.96 116.55 113.57 1u96 n ASP 43 Ca 0.00 -0.65 -0.24 0.00 -0.01 0.00 0.00 54.79 53.89 1u96 n ASP 43 Cb 0.00 0.10 -0.17 0.00 -1.03 0.00 0.00 41.12 40.02 1u96 n ASP 43 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1u96 s SER 44 N -0.31 1.67 -0.02 -1.12 0.01 -1.25 -4.73 113.70 107.94 1u96 s SER 44 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1u96 s SER 44 Cb 0.00 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1u96 s SER 44 CO -0.00 -0.01 0.00 -0.62 0.41 0.00 0.00 173.24 173.02 1u96 n GLU 45 N 4.02 -1.91 -2.68 12.44 1.02 -1.26 -3.82 120.64 128.45 1u96 n GLU 45 Ca -0.22 0.49 -0.01 0.00 -0.02 0.00 0.00 57.16 57.40 1u96 n GLU 45 Cb 0.51 -4.92 -0.01 0.00 -0.02 0.00 0.00 31.44 27.01 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 0.79 -3.60 0.00 3.49 4.76 -1.26 -4.80 118.16 117.53 1u96 n LYS 46 Ca -0.00 2.85 0.02 0.00 -2.87 0.00 0.00 58.31 58.32 1u96 n LYS 46 Cb 0.48 -5.30 0.12 0.00 -1.84 0.00 0.00 35.03 28.49 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 -1.38 0.14 -0.08 0.00 5.02 -1.26 -2.17 118.16 118.44 1u96 n LYS 48 Ca 0.02 0.62 -0.10 0.00 -2.02 0.00 0.00 58.31 56.83 1u96 n LYS 48 Cb 0.05 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 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 0.38 -0.43 1.97 4.81 -1.79 -1.80 114.58 117.72 1u96 h GLU 49 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1u96 h GLU 49 Cb 0.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1u96 h GLU 49 CO 0.00 0.35 0.16 0.74 -0.73 0.00 0.00 179.01 179.53 1u96 h PHE 50 N 0.32 0.61 -0.09 0.92 0.04 -1.72 -1.94 116.94 115.07 1u96 h PHE 50 Ca 0.09 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1u96 h PHE 50 Cb 0.08 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1u96 h PHE 50 CO -0.03 0.49 0.03 0.82 -0.60 0.00 0.00 178.31 179.02 1u96 h ILE 51 N 0.60 1.17 -0.51 -0.55 2.04 -1.55 -1.24 117.51 117.48 1u96 h ILE 51 Ca 0.15 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1u96 h ILE 51 Cb 0.14 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1u96 h ILE 51 CO -0.01 0.15 0.30 -0.33 0.00 0.00 0.00 178.15 178.26 1u96 h GLU 52 N -0.04 0.58 -0.94 2.37 5.08 -1.03 -1.94 114.58 118.65 1u96 h GLU 52 Ca 0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1u96 h GLU 52 Cb 0.22 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1u96 h GLU 52 CO -0.00 0.38 0.62 -0.22 -1.00 0.00 0.00 179.01 178.80 1u96 h LYS 53 N 0.60 1.24 0.45 2.33 1.63 -1.24 -1.72 116.57 119.85 1u96 h LYS 53 Ca 0.21 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1u96 h LYS 53 Cb 0.03 -0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.37 1u96 h LYS 53 CO -0.10 0.82 -0.37 -0.92 -3.45 0.00 0.00 179.45 175.43 1u96 h TYR 54 N 1.28 -1.00 -0.06 1.91 3.20 -0.51 0.14 116.97 121.94 1u96 h TYR 54 Ca 0.34 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.25 1u96 h TYR 54 Cb -0.15 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 1u96 h TYR 54 CO -0.01 -0.53 -0.34 0.87 -1.64 0.00 0.00 178.16 176.52 1u96 h LYS 55 N -0.82 -0.44 -0.09 1.82 1.57 -1.17 0.16 116.57 117.60 1u96 h LYS 55 Ca -0.04 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1u96 h LYS 55 Cb 0.71 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1u96 h LYS 55 CO -0.01 -0.29 0.12 1.49 -0.57 0.00 0.00 179.45 180.19 1u96 h GLU 56 N -0.46 0.00 0.00 3.15 4.57 -1.17 0.12 114.58 120.79 1u96 h GLU 56 Ca 0.07 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 1u96 h GLU 56 Cb 0.57 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1u96 h GLU 56 CO -0.31 0.00 -0.67 0.00 -1.18 0.00 0.00 179.01 176.85 1u96 h MET 58 N 0.00 0.00 0.00 0.00 2.86 0.13 -3.36 114.93 114.56 1u96 h MET 58 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1u96 h MET 58 Cb 1.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1u96 h MET 58 CO 0.05 0.20 0.00 1.57 1.06 0.00 0.00 176.91 179.79 1u96 h LYS 59 N -1.00 0.00 0.00 1.72 2.10 -1.30 -0.64 116.57 117.45 1u96 h LYS 59 Ca -0.05 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1u96 h LYS 59 Cb 0.54 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1u96 h LYS 59 CO -0.03 0.00 -0.11 0.78 -2.00 0.00 0.00 179.45 178.08 1u96 h GLY 60 N 0.40 0.00 0.00 0.07 0.00 -1.66 -3.36 103.07 98.52 1u96 h GLY 60 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1u96 h GLY 60 CO 0.00 0.00 -0.38 2.98 0.00 0.00 0.00 176.54 179.14 1u96 n TYR 61 N -3.96 0.00 0.00 5.60 9.36 -0.67 -5.10 117.16 122.40 1u96 n TYR 61 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1u96 n TYR 61 Cb 0.20 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 2.91 1.38 2.09 2.98 0.00 -0.34 -5.11 105.19 109.10 1u96 n GLY 62 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.04 -3.00 -3.69 1.61 -0.00 -1.26 -5.09 117.46 106.07 1u96 n PHE 63 Ca 0.00 0.65 -0.21 0.00 -0.00 0.00 0.00 57.45 57.89 1u96 n PHE 63 Cb 0.00 1.80 -0.03 0.00 -0.00 0.00 0.00 39.48 41.25 1u96 n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1u96 s GLU 64 N -2.00 2.61 -0.12 -4.13 2.02 -1.26 -4.17 118.70 111.65 1u96 s GLU 64 Ca 0.00 -1.43 -0.09 0.00 0.02 0.00 0.00 54.97 53.47 1u96 s GLU 64 Cb 0.00 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.85 1u96 s GLU 64 CO 0.00 -0.06 0.18 0.28 0.02 0.00 0.00 175.26 175.68 1u96 n VAL 65 N -1.46-12.59 -0.01 2.63 0.31 -1.26 -4.71 118.33 101.24 1u96 n VAL 65 Ca 0.01 2.77 -0.00 0.00 -0.01 0.00 0.00 64.34 67.10 1u96 n VAL 65 Cb 0.61 -6.29 -0.00 0.00 -0.91 0.00 0.00 33.84 27.25 1u96 n VAL 65 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1u96 h PRO 66 N 3.93 0.00 -7.60 5.55 0.14 -1.89 -3.48 132.00 128.65 1u96 h PRO 66 Ca -0.40 0.00 -0.46 0.00 0.14 0.00 0.00 66.00 65.28 1u96 h PRO 66 Cb 0.90 0.00 0.13 0.00 0.14 0.00 0.00 31.00 32.17 1u96 h PRO 66 CO 0.01 0.00 0.36 -1.12 0.14 0.00 0.00 178.00 177.39 1u96 s SER 67 N -3.72 3.72 -0.07 1.44 0.01 -1.26 -5.01 113.70 108.80 1u96 s SER 67 Ca -0.01 0.74 -0.04 0.00 1.31 0.00 0.00 55.95 57.95 1u96 s SER 67 Cb 0.00 -1.17 -0.27 0.00 0.21 0.00 0.00 66.02 64.79 1u96 s SER 67 CO 0.01 -2.40 0.55 0.00 0.41 0.00 0.00 173.24 171.82 1u96 h ALA 68 N -1.40 0.40 -0.02 1.44 0.00 -1.95 -3.50 119.26 114.23 1u96 h ALA 68 Ca -0.47 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.13 1u96 h ALA 68 Cb 1.31 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1u96 h ALA 68 CO 0.58 1.26 0.00 -1.71 0.00 0.00 0.00 179.25 179.38