#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 0.00 0.10 1.61 7.64 -1.26 -3.32 113.62 118.39 1x68 n SER 2 Ca 0.00 0.26 0.11 0.00 1.01 0.00 0.00 58.87 60.25 1x68 n SER 2 Cb 0.00 -0.31 0.45 0.00 -1.01 0.00 0.00 64.21 63.34 1x68 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x68 n SER 3 N -1.31 0.52 0.00 6.43 7.64 -1.26 -4.94 113.62 120.71 1x68 n SER 3 Ca 0.02 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1x68 n SER 3 Cb 0.03 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1x68 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x68 n GLY 4 N 0.15 -1.11 3.89 0.23 0.00 -1.21 -5.18 105.19 101.96 1x68 n GLY 4 Ca 0.03 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.42 4.75 0.39 1.61 0.15 -1.26 -4.95 113.70 113.98 1x68 s SER 5 Ca 0.00 -1.08 -0.14 0.00 0.70 0.00 0.00 55.95 55.44 1x68 s SER 5 Cb 0.00 0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1x68 s SER 5 CO 0.00 -0.95 0.76 -0.94 1.20 0.00 0.00 173.24 173.31 1x68 s SER 6 N -4.23 0.13 0.36 5.45 1.04 -1.26 -5.20 113.70 109.99 1x68 s SER 6 Ca 0.40 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.65 1x68 s SER 6 Cb -0.02 0.84 -0.03 0.00 0.10 0.00 0.00 66.02 66.91 1x68 s SER 6 CO 0.24 -1.68 0.15 -0.83 0.98 0.00 0.00 173.24 172.11 1x68 s GLY 7 N -3.10 2.38 -0.42 7.32 0.00 -1.26 -4.54 107.32 107.69 1x68 s GLY 7 Ca 0.17 -1.55 -0.44 0.00 0.00 0.00 0.00 44.72 42.91 1x68 s GLY 7 CO 0.13 -1.72 1.73 0.00 0.00 0.00 0.00 173.10 173.24 1x68 h VAL 9 N 5.39 0.47 -0.00 0.00 2.07 -1.24 0.65 116.25 123.59 1x68 h VAL 9 Ca -0.40 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1x68 h VAL 9 Cb 1.36 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1x68 h VAL 9 CO 0.99 0.02 -0.13 0.00 0.02 0.00 0.00 177.57 178.47 1x68 n ALA 10 N -2.69 2.78 -1.13 1.67 0.00 -1.26 -4.53 120.51 115.34 1x68 n ALA 10 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1x68 n ALA 10 Cb 1.09 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -5.55 -4.79 0.00 3.41 0.20 -4.90 113.62 101.98 1x68 n SER 12 Ca 0.00 0.21 -0.35 0.00 -0.26 0.00 0.00 58.87 58.46 1x68 n SER 12 Cb 0.06 -3.78 -0.06 0.00 -0.26 0.00 0.00 64.21 60.17 1x68 n SER 12 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x68 s LYS 13 N -2.60 4.29 -0.10 4.33 1.02 -1.26 -4.32 119.74 121.09 1x68 s LYS 13 Ca 0.00 1.32 -0.29 0.00 0.02 0.00 0.00 55.97 57.01 1x68 s LYS 13 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1x68 s LYS 13 CO 0.00 0.01 1.45 -1.25 -0.92 0.00 0.00 175.35 174.64 1x68 s PRO 14 N -2.62 4.21 0.35 -1.68 0.04 -1.26 -0.79 135.00 133.24 1x68 s PRO 14 Ca 0.57 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 1x68 s PRO 14 Cb -0.16 -3.86 -0.10 0.00 0.04 0.00 0.00 34.50 30.42 1x68 s PRO 14 CO 0.21 -0.76 1.31 0.42 0.04 0.00 0.00 177.00 178.22 1x68 s ILE 15 N 3.68 2.68 -1.29 0.56 -1.09 -1.26 -4.91 121.20 119.57 1x68 s ILE 15 Ca 0.64 0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 59.56 1x68 s ILE 15 Cb -0.28 -3.42 0.09 0.00 -1.58 0.00 0.00 42.46 37.27 1x68 s ILE 15 CO 0.22 0.15 1.69 -1.54 -1.23 0.00 0.00 174.94 174.24 1x68 n SER 16 N 0.67 4.97 0.00 3.58 3.41 -1.26 -4.93 113.62 120.06 1x68 n SER 16 Ca 0.01 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1x68 n SER 16 Cb 0.42 -1.70 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 1x68 n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x68 n GLY 17 N 5.04 0.00 0.94 5.00 0.00 -1.26 -2.00 105.19 112.91 1x68 n GLY 17 Ca 0.46 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.53 1x68 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x68 n LEU 18 N 0.00 2.13 0.00 0.99 4.32 -1.26 -4.86 117.00 118.32 1x68 n LEU 18 Ca 0.00 -3.24 0.05 0.00 -0.02 0.00 0.00 56.01 52.80 1x68 n LEU 18 Cb 0.00 -0.34 0.25 0.00 -1.62 0.00 0.00 43.42 41.71 1x68 n LEU 18 CO 0.00 1.10 0.64 0.41 -1.22 0.00 0.00 177.39 178.31 1x68 n THR 19 N -0.55 0.95 0.00 -5.08 -1.04 -0.85 -4.78 114.28 102.93 1x68 n THR 19 Ca 0.15 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1x68 n THR 19 Cb 0.85 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 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 -0.39 1.34 3.83 3.41 0.00 -1.26 -5.13 105.19 106.98 1x68 n GLY 20 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 2.75 -0.43 4.61 0.00 -1.26 -5.02 121.76 120.40 1x68 s ALA 21 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 1x68 s ALA 21 Cb 0.00 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1x68 s ALA 21 CO 0.00 -1.12 0.44 0.21 0.00 0.00 0.00 175.76 175.29 1x68 s LYS 22 N -5.01 3.07 0.18 0.00 2.20 -1.26 -5.04 119.74 113.88 1x68 s LYS 22 Ca 0.58 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1x68 s LYS 22 Cb -0.14 -4.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.14 1x68 s LYS 22 CO 0.54 -0.90 -0.00 -0.59 -0.36 0.00 0.00 175.35 174.04 1x68 s PHE 23 N 2.09 1.24 0.06 4.03 -0.12 -1.26 -2.96 117.98 121.07 1x68 s PHE 23 Ca 0.11 -1.00 0.09 0.00 -0.05 0.00 0.00 56.93 56.07 1x68 s PHE 23 Cb -0.18 -0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 41.48 1x68 s PHE 23 CO 0.12 -0.19 -0.24 0.42 -0.05 0.00 0.00 175.22 175.29 1x68 s ILE 24 N -3.63 1.92 -0.30 -4.49 -1.09 0.42 -4.95 121.20 109.10 1x68 s ILE 24 Ca 0.24 -1.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.29 1x68 s ILE 24 Cb 0.06 -1.67 0.09 0.00 -1.58 0.00 0.00 42.46 39.36 1x68 s ILE 24 CO 0.04 0.22 0.04 0.00 -1.23 0.00 0.00 174.94 174.01 1x68 s PHE 26 N 1.35 2.36 -1.47 0.00 5.36 -1.01 -4.69 117.98 119.89 1x68 s PHE 26 Ca 0.06 -1.06 -0.09 0.00 -0.96 0.00 0.00 56.93 54.88 1x68 s PHE 26 Cb -0.18 -1.62 0.06 0.00 -0.34 0.00 0.00 43.02 40.94 1x68 s PHE 26 CO -0.15 -0.47 0.86 0.94 -1.46 0.00 0.00 175.22 174.94 1x68 n GLN 27 N 3.85 -5.11 -0.44 10.12 -0.06 -1.26 -1.50 117.38 122.97 1x68 n GLN 27 Ca -0.20 0.58 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 1x68 n GLN 27 Cb 0.52 -5.32 0.00 0.00 -4.06 0.00 0.00 30.24 21.38 1x68 n GLN 27 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1x68 n ASP 28 N -2.90 -0.26 -4.88 1.69 2.03 -1.26 -4.94 116.55 106.03 1x68 n ASP 28 Ca -0.08 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.93 1x68 n ASP 28 Cb 0.58 -2.16 -0.02 0.00 -0.72 0.00 0.00 41.12 38.80 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 -1.69 6.44 -0.18 1.67 0.01 -0.56 -5.04 113.70 114.35 1x68 s SER 29 Ca 0.00 1.15 -0.07 0.00 1.31 0.00 0.00 55.95 58.33 1x68 s SER 29 Cb 0.00 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1x68 s SER 29 CO 0.00 -0.50 0.06 0.00 0.41 0.00 0.00 173.24 173.21 1x68 s GLN 30 N -4.20 3.94 0.03 12.44 0.00 -1.26 -2.39 119.66 128.22 1x68 s GLN 30 Ca 0.51 -0.35 0.04 0.00 -0.00 0.00 0.00 55.36 55.56 1x68 s GLN 30 Cb -0.10 -3.19 -0.02 0.00 0.00 0.00 0.00 33.01 29.70 1x68 s GLN 30 CO 0.37 0.29 -0.11 -1.58 0.00 0.00 0.00 175.29 174.25 1x68 s TRP 31 N 0.32 0.97 0.29 9.60 0.51 -0.62 -0.63 118.94 129.38 1x68 s TRP 31 Ca 0.03 -0.32 0.04 0.00 -2.12 0.00 0.00 56.10 53.73 1x68 s TRP 31 Cb -0.12 -0.59 -0.02 0.00 -0.81 0.00 0.00 33.47 31.92 1x68 s TRP 31 CO 0.00 -0.00 0.44 -1.01 -0.51 0.00 0.00 176.95 175.87 1x68 s HIS 32 N -0.78 3.38 0.12 -1.98 3.76 -1.26 -0.43 115.29 118.10 1x68 s HIS 32 Ca -0.00 0.04 -0.27 0.00 -0.15 0.00 0.00 55.06 54.68 1x68 s HIS 32 Cb -0.07 -1.76 -0.05 0.00 1.11 0.00 0.00 32.58 31.80 1x68 s HIS 32 CO 0.01 0.24 1.62 0.66 -0.85 0.00 0.00 174.74 176.41 1x68 h SER 33 N 0.98 -0.92 0.15 1.40 4.64 -1.90 -0.90 113.55 117.00 1x68 h SER 33 Ca -0.50 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1x68 h SER 33 Cb 1.23 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1x68 h SER 33 CO 0.59 -0.37 0.00 -0.62 -0.87 0.00 0.00 176.83 175.56 1x68 n GLU 34 N -5.40 0.22 -0.05 4.77 -0.58 -1.26 -2.23 120.64 116.10 1x68 n GLU 34 Ca -0.05 0.13 0.05 0.00 -0.42 0.00 0.00 57.16 56.87 1x68 n GLU 34 Cb 0.32 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.77 3.42 0.23 0.00 5.36 -0.95 -4.68 117.98 119.59 1x68 s PHE 36 Ca 0.14 -1.84 -0.19 0.00 -0.96 0.00 0.00 56.93 54.09 1x68 s PHE 36 Cb 0.13 -3.33 0.02 0.00 -0.34 0.00 0.00 43.02 39.50 1x68 s PHE 36 CO 0.01 -0.96 0.60 0.54 -1.46 0.00 0.00 175.22 173.96 1x68 s ASN 37 N 2.45 -0.27 -0.01 6.13 2.20 -1.26 -1.53 114.94 122.65 1x68 s ASN 37 Ca 0.05 -0.55 -0.30 0.00 -0.94 0.00 0.00 52.86 51.12 1x68 s ASN 37 Cb -0.25 0.64 -0.07 0.00 -2.00 0.00 0.00 41.25 39.57 1x68 s ASN 37 CO -0.00 -1.17 1.73 0.00 -2.94 0.00 0.00 177.10 174.72 1x68 h GLY 39 N 10.06 0.00 1.90 0.00 0.00 -1.79 0.31 103.07 113.54 1x68 h GLY 39 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1x68 h GLY 39 CO 0.95 0.00 -0.10 0.50 0.00 0.00 0.00 176.54 177.88 1x68 h LYS 40 N 0.00 0.00 0.00 4.80 1.57 -1.91 -3.41 116.57 117.62 1x68 h LYS 40 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1x68 h LYS 40 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1x68 h LYS 40 CO -0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.86 1x68 n SER 42 N -0.17 -1.36 -4.75 0.00 2.88 0.10 -4.98 113.62 105.34 1x68 n SER 42 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1x68 n SER 42 Cb 0.00 -0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1x68 n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x68 s VAL 43 N -2.32 2.36 0.25 2.46 0.11 -1.26 -4.55 120.40 117.45 1x68 s VAL 43 Ca 0.00 0.30 -0.31 0.00 -2.93 0.00 0.00 61.98 59.04 1x68 s VAL 43 Cb 0.00 -3.19 -0.12 0.00 -1.53 0.00 0.00 36.38 31.54 1x68 s VAL 43 CO 0.00 0.05 1.67 -0.55 -3.33 0.00 0.00 175.10 172.94 1x68 s SER 44 N 0.41 6.37 0.00 3.54 0.15 -1.26 -1.56 113.70 121.34 1x68 s SER 44 Ca 0.61 2.91 0.24 0.00 0.70 0.00 0.00 55.95 60.42 1x68 s SER 44 Cb -0.45 -2.62 0.27 0.00 -1.71 0.00 0.00 66.02 61.52 1x68 s SER 44 CO 0.46 -0.95 1.29 0.18 1.20 0.00 0.00 173.24 175.42 1x68 n LEU 45 N 3.16 2.44 -4.60 3.45 4.77 -0.58 -4.81 117.00 120.83 1x68 n LEU 45 Ca 0.12 -0.83 -0.43 0.00 -0.03 0.00 0.00 56.01 54.85 1x68 n LEU 45 Cb 0.36 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1x68 n LEU 45 CO 0.64 0.42 1.45 -0.69 -1.33 0.00 0.00 177.39 177.88 1x68 s VAL 46 N -2.16 3.59 0.00 4.08 1.01 -1.26 -3.27 120.40 122.39 1x68 s VAL 46 Ca 0.26 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1x68 s VAL 46 Cb 0.20 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1x68 s VAL 46 CO 0.39 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1x68 n GLY 47 N 5.34 2.45 3.74 4.51 0.00 -1.26 -5.07 105.19 114.90 1x68 n GLY 47 Ca 0.21 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 2.20 0.21 1.61 -2.85 -1.20 -5.01 119.74 114.70 1x68 s LYS 48 Ca 0.00 1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 56.10 1x68 s LYS 48 Cb 0.00 -1.87 -0.08 0.00 -2.06 0.00 0.00 37.83 33.82 1x68 s LYS 48 CO 0.00 -1.72 1.00 0.20 0.10 0.00 0.00 175.35 174.94 1x68 s GLY 49 N -2.71 3.03 0.40 0.59 0.00 -1.26 -4.89 107.32 102.48 1x68 s GLY 49 Ca 0.67 0.70 0.08 0.00 0.00 0.00 0.00 44.72 46.16 1x68 s GLY 49 CO 0.49 1.39 0.36 -0.11 0.00 0.00 0.00 173.10 175.24 1x68 s PHE 50 N -0.75 2.76 0.14 1.90 -0.71 -1.26 -4.43 117.98 115.63 1x68 s PHE 50 Ca 0.44 -0.44 0.09 0.00 -1.04 0.00 0.00 56.93 55.98 1x68 s PHE 50 Cb -0.27 -2.08 -0.04 0.00 -1.21 0.00 0.00 43.02 39.42 1x68 s PHE 50 CO 0.34 -0.05 -0.21 -0.51 -1.34 0.00 0.00 175.22 173.45 1x68 s LEU 51 N -4.10 2.36 -0.14 -1.99 1.02 -0.32 -4.94 118.68 110.57 1x68 s LEU 51 Ca 0.46 -0.77 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 1x68 s LEU 51 Cb -0.04 -0.93 0.04 0.00 0.02 0.00 0.00 46.19 45.28 1x68 s LEU 51 CO 0.28 0.05 0.01 0.42 0.02 0.00 0.00 176.35 177.12 1x68 s THR 52 N -1.52 0.54 -0.02 5.49 -4.23 -1.26 -1.54 115.64 113.11 1x68 s THR 52 Ca 0.12 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1x68 s THR 52 Cb -0.08 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1x68 s THR 52 CO 0.06 0.03 0.08 -1.58 -0.54 0.00 0.00 174.62 172.67 1x68 s GLN 53 N 1.88 0.21 -1.38 3.99 0.74 -0.92 -4.85 119.66 119.33 1x68 s GLN 53 Ca 0.02 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.36 1x68 s GLN 53 Cb -0.15 0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.05 1x68 s GLN 53 CO -0.07 -0.04 0.00 0.09 -0.55 0.00 0.00 175.29 174.72 1x68 n ASN 54 N 2.54 -4.13 0.00 6.67 3.02 -1.26 -0.74 115.26 121.36 1x68 n ASN 54 Ca -0.16 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1x68 n ASN 54 Cb 0.58 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 1x68 n ASN 54 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x68 n LYS 55 N -2.44 -0.25 -3.77 3.52 5.02 -1.26 -5.01 118.16 113.97 1x68 n LYS 55 Ca -0.16 0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 55.91 1x68 n LYS 55 Cb 0.56 -3.37 -0.03 0.00 -0.02 0.00 0.00 35.03 32.17 1x68 n LYS 55 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x68 s GLU 56 N -0.47 3.51 -0.25 1.97 2.02 0.08 -5.10 118.70 120.46 1x68 s GLU 56 Ca 0.00 -0.36 -0.09 0.00 0.02 0.00 0.00 54.97 54.54 1x68 s GLU 56 Cb 0.00 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 1x68 s GLU 56 CO 0.00 0.47 0.12 0.96 0.02 0.00 0.00 175.26 176.83 1x68 s ILE 57 N -1.76 4.88 0.18 -1.63 -4.36 -1.26 -2.17 121.20 115.08 1x68 s ILE 57 Ca 0.38 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.79 1x68 s ILE 57 Cb -0.11 -3.28 -0.04 0.00 1.25 0.00 0.00 42.46 40.27 1x68 s ILE 57 CO 0.28 0.33 0.05 -0.36 0.24 0.00 0.00 174.94 175.49 1x68 s PHE 58 N 1.37 1.15 0.61 1.37 0.08 -0.59 -2.09 117.98 119.88 1x68 s PHE 58 Ca 0.06 -1.17 -0.08 0.00 0.12 0.00 0.00 56.93 55.87 1x68 s PHE 58 Cb -0.15 -0.64 -0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1x68 s PHE 58 CO 0.06 -0.39 0.95 0.00 -0.10 0.00 0.00 175.22 175.73 1x68 h GLN 60 N -0.25 -0.57 -0.44 0.00 4.20 -1.92 0.58 115.11 116.71 1x68 h GLN 60 Ca -0.45 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.38 1x68 h GLN 60 Cb 1.24 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 29.08 1x68 h GLN 60 CO 0.62 -0.38 -0.01 0.87 -0.67 0.00 0.00 178.83 179.26 1x68 h LYS 61 N -0.59 0.10 -0.25 1.46 1.57 -1.97 -1.32 116.57 115.56 1x68 h LYS 61 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1x68 h LYS 61 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1x68 h LYS 61 CO -0.11 0.06 -0.14 0.00 -0.57 0.00 0.00 179.45 178.69 1x68 n GLY 63 N 0.01 1.96 3.56 0.00 0.00 0.18 -4.80 105.19 106.10 1x68 n GLY 63 Ca -0.04 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1x68 n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x68 s SER 64 N 0.04 5.84 -0.86 1.61 0.01 -0.55 -4.87 113.70 114.92 1x68 s SER 64 Ca 0.10 -0.83 -0.07 0.00 1.31 0.00 0.00 55.95 56.46 1x68 s SER 64 Cb 0.08 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.62 1x68 s SER 64 CO 0.03 -2.08 2.85 0.61 0.41 0.00 0.00 173.24 175.06 1x68 n GLY 65 N 6.52 3.42 3.73 3.44 0.00 -1.26 -4.94 105.19 116.10 1x68 n GLY 65 Ca 0.30 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1x68 n GLY 65 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x68 s MET 66 N 2.12 4.21 -1.44 1.61 -1.94 -1.26 -4.89 119.30 117.71 1x68 s MET 66 Ca 0.58 2.39 -0.09 0.00 -1.71 0.00 0.00 55.69 56.87 1x68 s MET 66 Cb 0.20 -3.11 0.05 0.00 2.01 0.00 0.00 34.83 33.98 1x68 s MET 66 CO -0.03 -0.55 2.48 -0.25 -0.01 0.00 0.00 175.02 176.66 1x68 n ASP 67 N 2.98 7.26 0.18 3.03 8.00 -1.26 -4.77 116.55 131.97 1x68 n ASP 67 Ca 0.10 -2.91 -0.07 0.00 0.71 0.00 0.00 54.79 52.62 1x68 n ASP 67 Cb 0.39 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 39.97 1x68 n ASP 67 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1x68 h THR 68 N 3.11 0.00 -3.07 -3.53 1.35 -1.99 -3.48 112.91 105.29 1x68 h THR 68 Ca 0.69 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.59 1x68 h THR 68 Cb 0.39 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.74 1x68 h THR 68 CO 1.66 0.00 0.18 1.51 -0.25 0.00 0.00 175.52 178.63 1x68 s ASP 69 N -2.73 -0.30 0.00 5.36 1.47 -1.26 -5.06 116.67 114.15 1x68 s ASP 69 Ca -0.07 -0.51 0.19 0.00 1.18 0.00 0.00 52.55 53.34 1x68 s ASP 69 Cb 0.01 0.68 0.57 0.00 -0.34 0.00 0.00 42.92 43.84 1x68 s ASP 69 CO 0.21 -1.24 1.45 2.30 0.68 0.00 0.00 175.17 178.56 1x68 n ILE 70 N -0.43 0.39 -3.68 2.11 -6.64 -1.26 -4.87 119.36 104.98 1x68 n ILE 70 Ca -0.07 -0.51 -0.14 0.00 -1.77 0.00 0.00 62.75 60.27 1x68 n ILE 70 Cb 0.61 0.48 -0.07 0.00 -1.44 0.00 0.00 39.64 39.21 1x68 n ILE 70 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1x68 s SER 71 N -1.38 -0.31 0.00 7.28 0.15 -1.26 -5.02 113.70 113.16 1x68 s SER 71 Ca 0.33 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1x68 s SER 71 Cb 0.18 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1x68 s SER 71 CO 0.26 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1x68 n GLY 72 N 0.94 1.96 2.53 9.45 0.00 -1.26 -4.97 105.19 113.83 1x68 n GLY 72 Ca -0.20 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1x68 n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x68 n PRO 73 N 0.00 2.88 -3.83 1.61 -0.04 -1.26 -4.71 135.00 129.65 1x68 n PRO 73 Ca 0.00 -1.97 -0.07 0.00 -0.04 0.00 0.00 63.50 61.42 1x68 n PRO 73 Cb 0.00 -2.75 0.02 0.00 -0.04 0.00 0.00 33.50 30.73 1x68 n PRO 73 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x68 s SER 74 N 2.94 0.02 -0.69 3.54 0.01 -1.26 -5.09 113.70 113.16 1x68 s SER 74 Ca 0.56 -1.01 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1x68 s SER 74 Cb 0.15 0.74 0.02 0.00 0.21 0.00 0.00 66.02 67.13 1x68 s SER 74 CO -0.04 -1.47 1.42 -0.55 0.41 0.00 0.00 173.24 173.01 1x68 s SER 75 N -3.20 5.96 0.00 2.44 0.15 -1.26 -5.17 113.70 112.62 1x68 s SER 75 Ca 0.18 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x68 s SER 75 Cb -0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1x68 s SER 75 CO 0.10 -1.95 0.00 0.61 1.20 0.00 0.00 173.24 173.20