#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x68 n SER 2 N 0.00 0.01 -3.59 1.61 2.88 -1.26 -5.08 113.62 108.19 1x68 n SER 2 Ca 0.00 0.12 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 1x68 n SER 2 Cb 0.00 -0.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.91 1x68 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x68 s SER 3 N -3.78 -0.36 0.03 -3.46 1.04 -1.26 -5.14 113.70 100.78 1x68 s SER 3 Ca -0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1x68 s SER 3 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1x68 s SER 3 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1x68 n GLY 4 N 0.11 -2.72 2.89 7.32 0.00 -1.26 -5.03 105.19 106.50 1x68 n GLY 4 Ca -0.17 -1.38 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 1x68 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x68 s SER 5 N -3.87 0.52 0.00 1.61 0.15 -1.26 -5.00 113.70 105.84 1x68 s SER 5 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1x68 s SER 5 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x68 s SER 5 CO 0.00 -0.23 0.00 -0.24 1.20 0.00 0.00 173.24 173.97 1x68 n SER 6 N 5.13 0.00 -4.70 5.45 2.88 -1.26 -5.05 113.62 116.07 1x68 n SER 6 Ca -0.09 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 1x68 n SER 6 Cb 0.50 0.40 0.14 0.00 -0.75 0.00 0.00 64.21 64.51 1x68 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x68 s GLY 7 N -0.89 1.65 -0.36 0.46 0.00 -1.26 -4.53 107.32 102.41 1x68 s GLY 7 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 44.72 44.52 1x68 s GLY 7 CO 0.00 0.68 1.67 0.00 0.00 0.00 0.00 173.10 175.44 1x68 h VAL 9 N 5.05 0.64 -0.04 0.00 2.07 -1.66 0.60 116.25 122.91 1x68 h VAL 9 Ca -0.46 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1x68 h VAL 9 Cb 1.34 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1x68 h VAL 9 CO 0.96 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.58 1x68 n ALA 10 N -2.61 2.60 -1.11 1.67 0.00 -1.26 -4.46 120.51 115.35 1x68 n ALA 10 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1x68 n ALA 10 Cb 0.79 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1x68 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x68 n SER 12 N 0.00 -5.91 -4.77 0.00 2.88 0.19 -4.90 113.62 101.12 1x68 n SER 12 Ca 0.00 0.01 -0.38 0.00 -1.33 0.00 0.00 58.87 57.17 1x68 n SER 12 Cb 0.10 -3.45 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 1x68 n SER 12 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x68 s LYS 13 N -1.98 3.68 0.29 -1.46 -0.14 -1.26 -4.43 119.74 114.43 1x68 s LYS 13 Ca 0.00 1.93 -0.29 0.00 -1.36 0.00 0.00 55.97 56.25 1x68 s LYS 13 Cb 0.00 -2.45 -0.10 0.00 -1.68 0.00 0.00 37.83 33.60 1x68 s LYS 13 CO 0.00 -0.66 1.34 -1.25 -0.76 0.00 0.00 175.35 174.03 1x68 s PRO 14 N -2.64 4.34 0.41 -1.68 0.04 -1.26 -0.86 135.00 133.35 1x68 s PRO 14 Ca 0.64 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.82 1x68 s PRO 14 Cb -0.33 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1x68 s PRO 14 CO 0.40 -0.26 0.73 0.42 0.04 0.00 0.00 177.00 178.33 1x68 s ILE 15 N -0.62 4.89 0.20 0.56 -1.09 -1.26 -4.87 121.20 119.01 1x68 s ILE 15 Ca 0.53 0.31 0.21 0.00 -2.23 0.00 0.00 60.65 59.48 1x68 s ILE 15 Cb -0.40 -3.79 0.19 0.00 -1.58 0.00 0.00 42.46 36.88 1x68 s ILE 15 CO 0.48 -0.62 1.82 0.28 -1.23 0.00 0.00 174.94 175.66 1x68 h SER 16 N 0.89 0.00 0.00 3.58 0.02 -1.95 -3.48 113.55 112.61 1x68 h SER 16 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1x68 h SER 16 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1x68 h SER 16 CO 0.63 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1x68 n GLY 17 N 0.05 3.23 2.40 -3.77 0.00 -1.26 -3.52 105.19 102.32 1x68 n GLY 17 Ca -0.00 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1x68 n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x68 n LEU 18 N 0.00 2.95 0.00 0.99 -0.00 -1.26 -3.55 117.00 116.12 1x68 n LEU 18 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 56.01 54.01 1x68 n LEU 18 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1x68 n LEU 18 CO 0.00 0.45 -0.25 0.41 -0.00 0.00 0.00 177.39 178.00 1x68 n THR 19 N 3.27 0.00 0.00 1.47 -1.04 -1.23 -5.06 114.28 111.69 1x68 n THR 19 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1x68 n THR 19 Cb 0.33 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1x68 n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x68 n GLY 20 N 1.75 0.84 3.73 3.41 0.00 -1.23 -5.12 105.19 108.57 1x68 n GLY 20 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1x68 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 s ALA 21 N -2.00 2.30 -0.22 4.61 0.00 -1.26 -4.98 121.76 120.21 1x68 s ALA 21 Ca 0.00 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1x68 s ALA 21 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1x68 s ALA 21 CO 0.00 -1.66 1.03 -1.59 0.00 0.00 0.00 175.76 173.54 1x68 s LYS 22 N -3.55 4.27 -0.03 0.00 -2.85 -1.26 -4.94 119.74 111.38 1x68 s LYS 22 Ca 0.79 1.35 -0.08 0.00 -1.00 0.00 0.00 55.97 57.02 1x68 s LYS 22 Cb -0.34 -3.63 0.01 0.00 -2.06 0.00 0.00 37.83 31.81 1x68 s LYS 22 CO 0.41 -0.60 0.19 -0.59 0.10 0.00 0.00 175.35 174.85 1x68 s PHE 23 N 3.10 -0.08 -0.24 1.78 -0.12 -1.26 -4.59 117.98 116.58 1x68 s PHE 23 Ca 0.44 0.15 -0.21 0.00 -0.05 0.00 0.00 56.93 57.26 1x68 s PHE 23 Cb -0.15 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 1x68 s PHE 23 CO 0.07 -0.25 0.66 0.42 -0.05 0.00 0.00 175.22 176.08 1x68 s ILE 24 N -0.89 4.97 -0.35 -4.49 -1.09 -0.09 -4.96 121.20 114.30 1x68 s ILE 24 Ca -0.10 1.22 -0.08 0.00 -2.23 0.00 0.00 60.65 59.46 1x68 s ILE 24 Cb -0.05 -3.97 0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1x68 s ILE 24 CO 0.02 0.03 0.15 0.00 -1.23 0.00 0.00 174.94 173.90 1x68 s PHE 26 N 1.47 0.07 -1.36 0.00 5.36 -0.78 -4.90 117.98 117.84 1x68 s PHE 26 Ca -0.00 0.01 -0.16 0.00 -0.96 0.00 0.00 56.93 55.82 1x68 s PHE 26 Cb -0.19 -0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.41 1x68 s PHE 26 CO 0.04 -0.02 0.41 1.04 -1.46 0.00 0.00 175.22 175.23 1x68 n GLN 27 N 3.31 -1.04 -0.98 10.12 1.13 -1.26 -0.97 117.38 127.69 1x68 n GLN 27 Ca -0.16 0.17 -0.06 0.00 -1.94 0.00 0.00 57.00 55.01 1x68 n GLN 27 Cb 0.58 -3.36 -0.02 0.00 0.11 0.00 0.00 30.24 27.54 1x68 n GLN 27 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1x68 n ASP 28 N -2.59 -4.05 -4.69 1.08 2.03 -1.26 -4.93 116.55 102.14 1x68 n ASP 28 Ca -0.22 0.14 -0.23 0.00 0.52 0.00 0.00 54.79 55.00 1x68 n ASP 28 Cb 0.63 -2.96 -0.07 0.00 -0.72 0.00 0.00 41.12 38.00 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1x68 s SER 29 N -1.72 4.53 -0.08 1.67 0.01 -0.14 -4.95 113.70 113.01 1x68 s SER 29 Ca 0.00 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.51 1x68 s SER 29 Cb 0.00 -0.71 -0.00 0.00 0.21 0.00 0.00 66.02 65.52 1x68 s SER 29 CO 0.00 -0.21 -0.23 -1.10 0.41 0.00 0.00 173.24 172.11 1x68 s GLN 30 N -3.77 2.73 -0.03 12.44 1.11 -1.26 -1.86 119.66 129.02 1x68 s GLN 30 Ca 0.35 -0.84 0.06 0.00 0.01 0.00 0.00 55.36 54.94 1x68 s GLN 30 Cb -0.03 -2.15 -0.01 0.00 -1.01 0.00 0.00 33.01 29.81 1x68 s GLN 30 CO 0.21 0.24 -0.20 -1.58 0.01 0.00 0.00 175.29 173.97 1x68 s TRP 31 N 0.19 1.82 0.37 0.91 0.51 0.09 -1.68 118.94 121.15 1x68 s TRP 31 Ca -0.13 -0.41 -0.25 0.00 -2.12 0.00 0.00 56.10 53.18 1x68 s TRP 31 Cb -0.16 -1.19 -0.09 0.00 -0.81 0.00 0.00 33.47 31.21 1x68 s TRP 31 CO 0.07 -0.08 1.04 -1.01 -0.51 0.00 0.00 176.95 176.45 1x68 s HIS 32 N -0.30 3.40 0.16 -1.98 3.76 -1.26 -0.91 115.29 118.15 1x68 s HIS 32 Ca 0.03 1.68 -0.19 0.00 -0.15 0.00 0.00 55.06 56.43 1x68 s HIS 32 Cb -0.09 -3.11 0.07 0.00 1.11 0.00 0.00 32.58 30.55 1x68 s HIS 32 CO 0.00 -0.45 1.65 1.03 -0.85 0.00 0.00 174.74 176.12 1x68 h SER 33 N 2.83 -0.58 0.11 1.40 0.87 -1.95 0.75 113.55 116.99 1x68 h SER 33 Ca -0.48 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1x68 h SER 33 Cb 1.21 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1x68 h SER 33 CO 0.64 -0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 176.11 1x68 n GLU 34 N -5.35 0.04 -0.02 2.24 -0.58 -1.26 -1.84 120.64 113.87 1x68 n GLU 34 Ca 0.01 0.49 0.01 0.00 -0.42 0.00 0.00 57.16 57.25 1x68 n GLU 34 Cb 0.26 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.53 1x68 n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x68 s PHE 36 N -1.02 2.98 0.19 0.00 5.36 -0.46 -4.72 117.98 120.31 1x68 s PHE 36 Ca 0.03 -0.83 -0.02 0.00 -0.96 0.00 0.00 56.93 55.15 1x68 s PHE 36 Cb 0.03 -3.95 -0.04 0.00 -0.34 0.00 0.00 43.02 38.73 1x68 s PHE 36 CO 0.00 -1.28 0.15 -0.80 -1.46 0.00 0.00 175.22 171.84 1x68 s ASN 37 N 3.44 0.16 0.01 6.13 0.01 -1.26 -1.76 114.94 121.66 1x68 s ASN 37 Ca 0.13 -1.29 -0.30 0.00 -0.71 0.00 0.00 52.86 50.69 1x68 s ASN 37 Cb -0.22 0.38 -0.07 0.00 0.41 0.00 0.00 41.25 41.74 1x68 s ASN 37 CO 0.08 -0.85 1.78 0.00 -1.51 0.00 0.00 177.10 176.60 1x68 h GLY 39 N 10.03 0.36 1.73 0.00 0.00 -1.55 0.39 103.07 114.03 1x68 h GLY 39 Ca -0.44 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1x68 h GLY 39 CO 0.94 0.05 -0.48 0.50 0.00 0.00 0.00 176.54 177.56 1x68 h LYS 40 N 0.24 0.00 0.00 4.80 1.57 -1.91 -3.40 116.57 117.87 1x68 h LYS 40 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1x68 h LYS 40 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1x68 h LYS 40 CO -0.05 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 1x68 n SER 42 N -0.06 -4.32 -4.84 0.00 3.41 0.13 -4.93 113.62 103.01 1x68 n SER 42 Ca 0.00 -0.01 -0.34 0.00 -0.26 0.00 0.00 58.87 58.26 1x68 n SER 42 Cb 0.05 -3.48 -0.06 0.00 -0.26 0.00 0.00 64.21 60.46 1x68 n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x68 s VAL 43 N -2.70 4.69 0.28 -3.33 0.11 -1.26 -4.67 120.40 113.51 1x68 s VAL 43 Ca 0.00 1.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.76 1x68 s VAL 43 Cb 0.00 -3.73 -0.12 0.00 -1.53 0.00 0.00 36.38 31.00 1x68 s VAL 43 CO 0.00 0.05 1.54 -0.24 -3.33 0.00 0.00 175.10 173.11 1x68 n SER 44 N 0.26 3.50 -0.41 3.54 2.88 -1.26 -0.81 113.62 121.33 1x68 n SER 44 Ca -0.00 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.73 1x68 n SER 44 Cb 0.52 -1.54 0.05 0.00 -0.75 0.00 0.00 64.21 62.50 1x68 n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x68 n LEU 45 N 2.18 1.96 -4.56 2.46 4.77 -0.72 -4.83 117.00 118.25 1x68 n LEU 45 Ca 0.10 -1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 54.48 1x68 n LEU 45 Cb 0.35 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1x68 n LEU 45 CO 0.63 0.41 1.90 0.52 -1.33 0.00 0.00 177.39 179.52 1x68 n VAL 46 N 0.50 0.21 0.00 4.08 0.31 -1.26 -2.66 118.33 119.52 1x68 n VAL 46 Ca 0.06 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1x68 n VAL 46 Cb 0.26 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 1x68 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x68 n GLY 47 N 5.99 2.35 3.57 2.92 0.00 -1.26 -4.96 105.19 113.80 1x68 n GLY 47 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1x68 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x68 s LYS 48 N 0.00 3.61 0.27 1.61 0.00 -1.09 -5.01 119.74 119.13 1x68 s LYS 48 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 55.97 55.84 1x68 s LYS 48 Cb 0.00 -3.86 -0.16 0.00 0.00 0.00 0.00 37.83 33.81 1x68 s LYS 48 CO 0.00 -0.96 0.43 0.41 0.00 0.00 0.00 175.35 175.24 1x68 n GLY 49 N 4.73 -1.91 3.30 0.59 0.00 -1.26 -4.84 105.19 105.79 1x68 n GLY 49 Ca 0.03 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 1x68 n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x68 s PHE 50 N -1.21 1.47 0.28 1.61 -0.12 -1.26 -4.73 117.98 114.03 1x68 s PHE 50 Ca 0.62 -1.24 0.06 0.00 -0.05 0.00 0.00 56.93 56.33 1x68 s PHE 50 Cb -0.82 -0.83 -0.03 0.00 -0.63 0.00 0.00 43.02 40.71 1x68 s PHE 50 CO 0.58 -0.42 0.32 -0.51 -0.05 0.00 0.00 175.22 175.14 1x68 s LEU 51 N -3.29 3.95 -0.26 -1.99 1.02 -1.10 -5.03 118.68 111.97 1x68 s LEU 51 Ca 0.38 -0.20 -0.04 0.00 0.02 0.00 0.00 54.13 54.30 1x68 s LEU 51 Cb 0.07 -2.55 0.10 0.00 0.02 0.00 0.00 46.19 43.83 1x68 s LEU 51 CO 0.14 -0.19 0.16 0.42 0.02 0.00 0.00 176.35 176.90 1x68 s THR 52 N -2.13 -0.16 0.12 5.49 -4.23 -1.26 -3.32 115.64 110.13 1x68 s THR 52 Ca 0.37 -0.53 0.05 0.00 -1.18 0.00 0.00 61.69 60.41 1x68 s THR 52 Cb -0.08 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 1x68 s THR 52 CO 0.28 -0.54 -0.13 -1.58 -0.54 0.00 0.00 174.62 172.11 1x68 s GLN 53 N 2.18 0.98 -1.32 3.99 0.74 -1.23 -4.81 119.66 120.20 1x68 s GLN 53 Ca 0.08 -1.22 -0.10 0.00 0.05 0.00 0.00 55.36 54.16 1x68 s GLN 53 Cb -0.16 -0.81 0.08 0.00 1.10 0.00 0.00 33.01 33.23 1x68 s GLN 53 CO -0.28 0.15 0.52 0.09 -0.55 0.00 0.00 175.29 175.21 1x68 n ASN 54 N 0.52 -3.62 -1.65 6.67 5.03 -1.26 -0.91 115.26 120.04 1x68 n ASN 54 Ca -0.15 -0.45 -0.17 0.00 0.87 0.00 0.00 54.58 54.68 1x68 n ASN 54 Cb 0.57 -2.99 -0.06 0.00 -1.02 0.00 0.00 39.78 36.28 1x68 n ASN 54 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1x68 n LYS 55 N -3.79 -1.47 -4.17 3.52 4.76 -1.26 -4.94 118.16 110.81 1x68 n LYS 55 Ca -0.00 0.95 -0.27 0.00 -2.87 0.00 0.00 58.31 56.11 1x68 n LYS 55 Cb 0.53 -5.31 -0.04 0.00 -1.84 0.00 0.00 35.03 28.37 1x68 n LYS 55 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1x68 n GLU 56 N -2.24 0.87 -4.30 1.97 1.02 -0.09 -5.15 120.64 112.73 1x68 n GLU 56 Ca -0.17 -3.23 -0.30 0.00 -0.02 0.00 0.00 57.16 53.44 1x68 n GLU 56 Cb 0.56 0.74 -0.16 0.00 -0.02 0.00 0.00 31.44 32.55 1x68 n GLU 56 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1x68 s ILE 57 N -2.57 1.70 -0.00 -3.67 -4.36 -1.26 -3.46 121.20 107.57 1x68 s ILE 57 Ca 0.07 -0.74 0.02 0.00 -0.26 0.00 0.00 60.65 59.74 1x68 s ILE 57 Cb -0.01 -1.55 -0.00 0.00 1.25 0.00 0.00 42.46 42.15 1x68 s ILE 57 CO 0.05 0.48 -0.05 -0.36 0.24 0.00 0.00 174.94 175.30 1x68 s PHE 58 N 1.17 0.45 0.77 1.37 0.08 -1.21 -1.28 117.98 119.33 1x68 s PHE 58 Ca -0.01 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 56.84 1x68 s PHE 58 Cb -0.14 -0.29 0.05 0.00 -0.57 0.00 0.00 43.02 42.07 1x68 s PHE 58 CO -0.06 -0.01 1.09 0.00 -0.10 0.00 0.00 175.22 176.13 1x68 h GLN 60 N -0.99 -0.14 -0.94 0.00 4.20 -1.96 0.74 115.11 116.02 1x68 h GLN 60 Ca -0.46 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.41 1x68 h GLN 60 Cb 1.25 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.97 1x68 h GLN 60 CO 0.58 -0.09 0.55 -0.22 -0.67 0.00 0.00 178.83 178.98 1x68 h LYS 61 N -0.14 0.75 -0.09 1.46 1.63 -1.99 -0.23 116.57 117.97 1x68 h LYS 61 Ca 0.08 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1x68 h LYS 61 Cb 0.36 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1x68 h LYS 61 CO -0.56 0.50 -0.17 0.00 -3.45 0.00 0.00 179.45 175.77 1x68 n GLY 63 N 0.43 -0.68 0.00 0.00 0.00 0.11 -3.74 105.19 101.31 1x68 n GLY 63 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1x68 n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x68 n SER 64 N -1.15 0.00 -3.70 1.61 2.88 -0.19 -4.39 113.62 108.68 1x68 n SER 64 Ca 0.10 -0.62 -0.42 0.00 -1.33 0.00 0.00 58.87 56.60 1x68 n SER 64 Cb 0.09 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1x68 n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x68 n GLY 65 N -0.19 4.49 3.70 0.46 0.00 -1.25 -4.95 105.19 107.45 1x68 n GLY 65 Ca 0.01 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1x68 n GLY 65 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x68 s MET 66 N 2.47 4.34 0.00 1.61 0.00 -1.26 -4.89 119.30 121.57 1x68 s MET 66 Ca 0.48 1.91 0.01 0.00 0.00 0.00 0.00 55.69 58.09 1x68 s MET 66 Cb 0.14 -3.42 0.06 0.00 0.00 0.00 0.00 34.83 31.61 1x68 s MET 66 CO -0.07 -0.44 0.29 -0.25 0.00 0.00 0.00 175.02 174.55 1x68 n ASP 67 N 4.57 0.00 0.15 1.11 8.00 -1.26 -3.52 116.55 125.59 1x68 n ASP 67 Ca 0.11 -0.33 0.02 0.00 0.71 0.00 0.00 54.79 55.31 1x68 n ASP 67 Cb 0.44 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.90 1x68 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x68 h THR 68 N 0.00 1.23 -4.07 -3.53 1.03 -1.99 -3.46 112.91 102.12 1x68 h THR 68 Ca 0.00 -1.07 -0.49 0.00 -0.01 0.00 0.00 66.41 64.84 1x68 h THR 68 Cb 0.00 1.48 0.15 0.00 -1.07 0.00 0.00 68.15 68.71 1x68 h THR 68 CO 0.00 0.32 0.24 -0.62 -0.01 0.00 0.00 175.52 175.44 1x68 s ASP 69 N -6.91 3.37 -0.46 0.00 2.15 -1.23 -4.86 116.67 108.73 1x68 s ASP 69 Ca -0.04 1.62 -0.42 0.00 0.43 0.00 0.00 52.55 54.13 1x68 s ASP 69 Cb 0.15 -2.28 -0.18 0.00 -0.30 0.00 0.00 42.92 40.31 1x68 s ASP 69 CO 0.73 -2.72 1.59 -0.38 -0.17 0.00 0.00 175.17 174.22 1x68 n ILE 70 N -3.95 0.00 -1.38 4.11 5.41 -1.26 -4.95 119.36 117.34 1x68 n ILE 70 Ca 0.07 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.53 1x68 n ILE 70 Cb 0.54 -0.46 0.20 0.00 -0.71 0.00 0.00 39.64 39.21 1x68 n ILE 70 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1x68 s SER 71 N 3.43 2.17 0.75 4.38 1.04 -1.26 -5.08 113.70 119.13 1x68 s SER 71 Ca 1.00 0.68 -0.08 0.00 0.48 0.00 0.00 55.95 58.03 1x68 s SER 71 Cb -1.38 -1.01 0.08 0.00 0.10 0.00 0.00 66.02 63.82 1x68 s SER 71 CO 0.72 -3.35 1.07 -0.83 0.98 0.00 0.00 173.24 171.82 1x68 s GLY 72 N -4.10 1.68 0.20 7.32 0.00 -1.26 -5.00 107.32 106.16 1x68 s GLY 72 Ca 0.69 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 44.15 1x68 s GLY 72 CO 0.55 -0.49 1.62 2.56 0.00 0.00 0.00 173.10 177.34 1x68 s PRO 73 N -5.35 4.17 0.00 2.90 0.04 -1.26 -5.01 135.00 130.49 1x68 s PRO 73 Ca 0.62 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1x68 s PRO 73 Cb -0.10 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1x68 s PRO 73 CO 0.46 -0.65 0.00 0.43 0.04 0.00 0.00 177.00 177.28 1x68 n SER 74 N 3.70 0.00 0.00 6.66 7.64 -1.26 -4.93 113.62 125.43 1x68 n SER 74 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.09 1x68 n SER 74 Cb 0.37 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 63.97 1x68 n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x68 n SER 75 N 0.00 0.00 0.00 6.43 7.64 -1.26 -5.32 113.62 121.11 1x68 n SER 75 Ca 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1x68 n SER 75 Cb 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1x68 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64