#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x68 s SER 2 N 0.00 5.41 -0.29 1.61 1.04 -1.26 -5.14 113.70 115.07 1x68 s SER 2 Ca 0.00 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.66 1x68 s SER 2 Cb 0.00 -0.59 0.14 0.00 0.10 0.00 0.00 66.02 65.67 1x68 s SER 2 CO 0.00 -0.74 1.06 -0.94 0.98 0.00 0.00 173.24 173.60 1x68 s SER 3 N -4.27 -0.42 -0.90 7.02 1.04 -1.26 -5.10 113.70 109.80 1x68 s SER 3 Ca 0.52 0.75 -0.19 0.00 0.48 0.00 0.00 55.95 57.51 1x68 s SER 3 Cb -0.07 0.93 0.12 0.00 0.10 0.00 0.00 66.02 67.10 1x68 s SER 3 CO 0.31 -0.12 1.12 -0.83 0.98 0.00 0.00 173.24 174.69 1x68 s GLY 4 N 0.66 1.85 -0.93 7.32 0.00 -1.26 -4.93 107.32 110.04 1x68 s GLY 4 Ca -0.01 -2.66 -0.08 0.00 0.00 0.00 0.00 44.72 41.97 1x68 s GLY 4 CO -0.11 2.03 2.12 1.44 0.00 0.00 0.00 173.10 178.59 1x68 n SER 5 N 6.73 4.79 -4.69 1.64 7.64 -1.26 -4.94 113.62 123.53 1x68 n SER 5 Ca 0.21 -2.38 -0.42 0.00 1.01 0.00 0.00 58.87 57.29 1x68 n SER 5 Cb 0.49 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 1x68 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x68 s SER 6 N 3.54 6.80 0.00 6.43 1.04 -1.26 -4.80 113.70 125.45 1x68 s SER 6 Ca 0.43 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.07 1x68 s SER 6 Cb 0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1x68 s SER 6 CO -0.02 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1x68 n GLY 7 N 3.68 -0.59 3.69 7.32 0.00 -1.26 -4.79 105.19 113.24 1x68 n GLY 7 Ca 0.13 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1x68 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 h VAL 9 N 4.77 0.65 -0.29 0.00 2.07 -1.83 0.54 116.25 122.17 1x68 h VAL 9 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1x68 h VAL 9 Cb 1.20 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1x68 h VAL 9 CO 0.93 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.52 1x68 n ALA 10 N -2.43 2.58 -0.52 1.67 0.00 -1.26 -4.42 120.51 116.13 1x68 n ALA 10 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1x68 n ALA 10 Cb 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -5.40 -4.79 0.00 7.64 0.18 -4.89 113.62 106.36 1x68 n SER 12 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1x68 n SER 12 Cb 0.03 -3.23 0.02 0.00 -1.01 0.00 0.00 64.21 60.02 1x68 n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1x68 s LYS 13 N -1.81 3.13 0.50 1.43 1.02 -1.26 -4.59 119.74 118.16 1x68 s LYS 13 Ca 0.00 1.26 -0.22 0.00 0.02 0.00 0.00 55.97 57.03 1x68 s LYS 13 Cb 0.00 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 35.24 1x68 s LYS 13 CO 0.00 -0.97 1.25 -1.25 -0.92 0.00 0.00 175.35 173.47 1x68 s PRO 14 N -4.10 3.48 -0.22 -1.68 0.04 -1.26 -1.94 135.00 129.32 1x68 s PRO 14 Ca 0.65 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 63.62 1x68 s PRO 14 Cb -0.17 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1x68 s PRO 14 CO 0.39 -0.84 -0.00 0.42 0.04 0.00 0.00 177.00 177.01 1x68 s ILE 15 N -1.43 3.81 -0.28 0.56 1.01 -1.26 -4.85 121.20 118.75 1x68 s ILE 15 Ca 0.67 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 1x68 s ILE 15 Cb -0.34 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.41 1x68 s ILE 15 CO 0.41 0.41 0.01 -0.44 0.00 0.00 0.00 174.94 175.32 1x68 s SER 16 N 1.30 4.74 -0.61 3.58 0.01 -1.26 -5.03 113.70 116.44 1x68 s SER 16 Ca 0.04 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1x68 s SER 16 Cb -0.15 -1.76 0.15 0.00 0.21 0.00 0.00 66.02 64.47 1x68 s SER 16 CO 0.00 -0.17 0.39 -0.83 0.41 0.00 0.00 173.24 173.04 1x68 s GLY 17 N 1.39 2.54 0.03 3.44 0.00 -1.26 -4.36 107.32 109.10 1x68 s GLY 17 Ca 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 44.72 41.39 1x68 s GLY 17 CO -0.01 1.07 0.00 -0.10 0.00 0.00 0.00 173.10 174.06 1x68 n LEU 18 N 3.19 -0.25 0.21 0.66 7.94 -1.26 -4.92 117.00 122.56 1x68 n LEU 18 Ca 0.08 0.06 0.10 0.00 -1.11 0.00 0.00 56.01 55.14 1x68 n LEU 18 Cb 0.35 0.63 0.37 0.00 0.53 0.00 0.00 43.42 45.31 1x68 n LEU 18 CO 0.34 -0.46 0.77 0.74 -1.11 0.00 0.00 177.39 177.67 1x68 h THR 19 N 0.00 0.48 0.00 1.96 2.02 -2.05 -3.46 112.91 111.86 1x68 h THR 19 Ca 0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1x68 h THR 19 Cb 0.00 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1x68 h THR 19 CO 0.00 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.72 1x68 n GLY 20 N 0.44 1.39 3.65 2.16 0.00 -1.26 -5.09 105.19 106.48 1x68 n GLY 20 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.50 0.19 4.61 0.00 -1.26 -4.95 121.76 121.85 1x68 s ALA 21 Ca 0.00 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 52.74 1x68 s ALA 21 Cb 0.00 -3.83 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 1x68 s ALA 21 CO 0.00 -1.65 1.48 0.21 0.00 0.00 0.00 175.76 175.80 1x68 s LYS 22 N 4.50 4.26 0.16 0.00 2.20 -1.26 -4.93 119.74 124.67 1x68 s LYS 22 Ca 0.83 2.27 -0.07 0.00 -0.36 0.00 0.00 55.97 58.65 1x68 s LYS 22 Cb -0.37 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1x68 s LYS 22 CO 0.36 -0.49 0.22 -0.59 -0.36 0.00 0.00 175.35 174.49 1x68 s PHE 23 N 0.66 0.54 0.05 4.03 -0.12 -1.26 -4.29 117.98 117.59 1x68 s PHE 23 Ca 0.64 -0.91 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 1x68 s PHE 23 Cb -0.41 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 41.77 1x68 s PHE 23 CO 0.36 -0.66 -0.16 0.42 -0.05 0.00 0.00 175.22 175.13 1x68 s ILE 24 N -3.99 1.23 -0.10 -4.49 1.01 -0.21 -4.93 121.20 109.72 1x68 s ILE 24 Ca 0.19 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1x68 s ILE 24 Cb 0.05 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.43 1x68 s ILE 24 CO 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 174.94 174.93 1x68 s PHE 26 N 1.85 0.80 -1.16 0.00 0.40 -0.54 -4.90 117.98 114.43 1x68 s PHE 26 Ca 0.04 -0.27 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 1x68 s PHE 26 Cb -0.13 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 42.94 1x68 s PHE 26 CO -0.07 -0.02 0.36 0.94 0.70 0.00 0.00 175.22 177.14 1x68 n GLN 27 N 2.30 -0.55 -1.90 0.44 -0.06 -1.26 -0.60 117.38 115.74 1x68 n GLN 27 Ca -0.17 0.01 -0.16 0.00 -2.00 0.00 0.00 57.00 54.68 1x68 n GLN 27 Cb 0.56 -2.39 -0.04 0.00 -4.06 0.00 0.00 30.24 24.31 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 -1.98 -4.45 -4.06 1.69 -0.08 -1.26 -4.95 116.55 101.46 1x68 n ASP 28 Ca -0.17 0.26 -0.25 0.00 -1.51 0.00 0.00 54.79 53.12 1x68 n ASP 28 Cb 0.53 -3.90 -0.16 0.00 2.34 0.00 0.00 41.12 39.92 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1x68 s SER 29 N -2.21 1.92 -0.10 1.67 0.01 0.23 -5.11 113.70 110.11 1x68 s SER 29 Ca 0.00 -0.32 -0.19 0.00 1.31 0.00 0.00 55.95 56.74 1x68 s SER 29 Cb 0.00 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1x68 s SER 29 CO 0.00 0.07 0.52 -1.10 0.41 0.00 0.00 173.24 173.14 1x68 s GLN 30 N 0.48 4.35 -0.04 12.44 -0.21 -1.26 -1.46 119.66 133.95 1x68 s GLN 30 Ca -0.12 0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.83 1x68 s GLN 30 Cb -0.15 -3.43 0.01 0.00 1.00 0.00 0.00 33.01 30.44 1x68 s GLN 30 CO 0.04 0.15 -0.10 -1.58 -2.12 0.00 0.00 175.29 171.68 1x68 s TRP 31 N 0.61 1.12 0.66 0.91 0.51 -0.17 -2.74 118.94 119.84 1x68 s TRP 31 Ca 0.28 -0.33 -0.15 0.00 -2.12 0.00 0.00 56.10 53.78 1x68 s TRP 31 Cb -0.16 -0.82 0.00 0.00 -0.81 0.00 0.00 33.47 31.68 1x68 s TRP 31 CO 0.12 -0.16 1.13 -1.01 -0.51 0.00 0.00 176.95 176.52 1x68 s HIS 32 N 0.41 2.52 0.33 -1.98 3.76 -1.26 -1.04 115.29 118.03 1x68 s HIS 32 Ca -0.08 1.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.41 1x68 s HIS 32 Cb -0.12 -3.24 0.58 0.00 1.11 0.00 0.00 32.58 30.92 1x68 s HIS 32 CO 0.01 -1.85 1.96 0.66 -0.85 0.00 0.00 174.74 174.67 1x68 h SER 33 N 0.09 0.71 0.00 1.40 4.64 -1.92 -0.63 113.55 117.84 1x68 h SER 33 Ca -0.47 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1x68 h SER 33 Cb 1.26 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1x68 h SER 33 CO 0.54 0.58 0.00 -0.62 -0.87 0.00 0.00 176.83 176.46 1x68 n GLU 34 N -4.39 0.70 -0.67 4.77 1.02 -1.26 -3.15 120.64 117.66 1x68 n GLU 34 Ca 0.05 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1x68 n GLU 34 Cb 0.10 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1x68 n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x68 s PHE 36 N -0.00 3.49 0.33 0.00 5.36 -1.05 -4.69 117.98 121.42 1x68 s PHE 36 Ca 0.06 -2.10 -0.09 0.00 -0.96 0.00 0.00 56.93 53.83 1x68 s PHE 36 Cb 0.07 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 39.37 1x68 s PHE 36 CO -0.03 -0.98 0.57 0.54 -1.46 0.00 0.00 175.22 173.86 1x68 s ASN 37 N 2.31 0.38 -0.18 6.13 2.20 -1.26 -1.66 114.94 122.86 1x68 s ASN 37 Ca 0.07 -1.23 -0.29 0.00 -0.94 0.00 0.00 52.86 50.48 1x68 s ASN 37 Cb -0.25 0.70 -0.06 0.00 -2.00 0.00 0.00 41.25 39.64 1x68 s ASN 37 CO -0.02 -1.37 2.19 0.00 -2.94 0.00 0.00 177.10 174.96 1x68 n GLY 39 N 5.60 -0.03 0.00 0.00 0.00 -0.09 -0.43 105.19 110.24 1x68 n GLY 39 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1x68 n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x68 n LYS 40 N -0.20 2.65 0.00 1.61 5.02 -1.26 -4.94 118.16 121.03 1x68 n LYS 40 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1x68 n LYS 40 Cb 0.01 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1x68 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x68 n SER 42 N 0.00 -0.34 -4.70 0.00 7.64 0.43 -4.97 113.62 111.69 1x68 n SER 42 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1x68 n SER 42 Cb 0.00 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 1x68 n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x68 s VAL 43 N -3.34 3.43 0.39 0.44 0.11 -1.26 -4.57 120.40 115.60 1x68 s VAL 43 Ca 0.00 0.90 -0.25 0.00 -2.93 0.00 0.00 61.98 59.70 1x68 s VAL 43 Cb 0.00 -3.58 -0.11 0.00 -1.53 0.00 0.00 36.38 31.16 1x68 s VAL 43 CO 0.00 0.02 1.00 -0.24 -3.33 0.00 0.00 175.10 172.55 1x68 n SER 44 N 5.04 1.26 -0.15 3.54 2.88 -1.26 -0.88 113.62 124.05 1x68 n SER 44 Ca 0.13 1.07 0.02 0.00 -1.33 0.00 0.00 58.87 58.77 1x68 n SER 44 Cb 0.42 -1.34 0.01 0.00 -0.75 0.00 0.00 64.21 62.56 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 0.71 1.12 -4.70 2.46 4.77 -0.66 -4.79 117.00 115.91 1x68 n LEU 45 Ca 0.09 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 1x68 n LEU 45 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1x68 n LEU 45 CO 0.58 0.24 1.43 -0.69 -1.33 0.00 0.00 177.39 177.62 1x68 s VAL 46 N -0.67 2.53 -0.51 4.08 1.01 -1.25 -2.08 120.40 123.51 1x68 s VAL 46 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1x68 s VAL 46 Cb 0.04 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1x68 s VAL 46 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1x68 n GLY 47 N 4.14 0.67 3.34 4.51 0.00 -1.26 -5.01 105.19 111.59 1x68 n GLY 47 Ca 0.17 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.87 1.40 0.12 1.61 -2.85 -0.88 -5.12 119.74 112.15 1x68 s LYS 48 Ca 0.00 -1.73 -0.31 0.00 -1.00 0.00 0.00 55.97 52.93 1x68 s LYS 48 Cb 0.00 -0.57 -0.09 0.00 -2.06 0.00 0.00 37.83 35.11 1x68 s LYS 48 CO 0.00 -0.16 1.59 0.20 0.10 0.00 0.00 175.35 177.08 1x68 s GLY 49 N -3.33 1.59 0.24 0.59 0.00 -1.26 -4.98 107.32 100.17 1x68 s GLY 49 Ca 0.32 1.27 -0.05 0.00 0.00 0.00 0.00 44.72 46.26 1x68 s GLY 49 CO 0.11 2.72 0.30 -0.11 0.00 0.00 0.00 173.10 176.12 1x68 s PHE 50 N 1.82 0.91 0.21 1.90 -0.71 -1.26 -4.32 117.98 116.53 1x68 s PHE 50 Ca 0.71 -1.16 0.11 0.00 -1.04 0.00 0.00 56.93 55.55 1x68 s PHE 50 Cb -0.41 -0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.10 1x68 s PHE 50 CO 0.31 -0.83 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.64 1x68 s LEU 51 N -3.13 2.49 -0.27 -1.99 1.02 -0.49 -4.88 118.68 111.44 1x68 s LEU 51 Ca 0.32 -0.93 -0.03 0.00 0.02 0.00 0.00 54.13 53.52 1x68 s LEU 51 Cb 0.03 -1.04 0.09 0.00 0.02 0.00 0.00 46.19 45.29 1x68 s LEU 51 CO 0.13 0.04 0.11 0.42 0.02 0.00 0.00 176.35 177.07 1x68 s THR 52 N -2.09 0.22 0.03 5.49 -4.23 -1.26 -1.79 115.64 112.01 1x68 s THR 52 Ca 0.23 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1x68 s THR 52 Cb -0.06 -1.09 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 1x68 s THR 52 CO 0.10 -0.59 -0.07 -1.58 -0.54 0.00 0.00 174.62 171.94 1x68 s GLN 53 N 1.96 0.48 -1.32 3.99 2.00 -1.21 -4.84 119.66 120.73 1x68 s GLN 53 Ca 0.07 -0.61 0.00 0.00 -2.00 0.00 0.00 55.36 52.82 1x68 s GLN 53 Cb -0.16 -0.29 0.00 0.00 0.80 0.00 0.00 33.01 33.35 1x68 s GLN 53 CO -0.27 0.06 0.00 0.09 -0.50 0.00 0.00 175.29 174.67 1x68 n ASN 54 N 1.82 -3.78 -0.03 6.67 3.02 -1.26 -1.18 115.26 120.53 1x68 n ASN 54 Ca -0.20 0.27 -0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1x68 n ASN 54 Cb 0.55 -3.39 -0.00 0.00 -0.61 0.00 0.00 39.78 36.33 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 -2.25 -0.13 -3.18 3.52 5.02 -1.26 -5.05 118.16 114.83 1x68 n LYS 55 Ca -0.14 0.16 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1x68 n LYS 55 Cb 0.51 -3.37 0.02 0.00 -0.02 0.00 0.00 35.03 32.17 1x68 n LYS 55 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x68 n GLU 56 N -2.78 0.73 -4.08 1.97 -0.58 -0.32 -5.12 120.64 110.46 1x68 n GLU 56 Ca -0.00 -2.86 -0.27 0.00 -0.42 0.00 0.00 57.16 53.60 1x68 n GLU 56 Cb 0.04 0.10 -0.17 0.00 -0.57 0.00 0.00 31.44 30.84 1x68 n GLU 56 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1x68 s ILE 57 N -2.26 1.15 0.06 -3.67 -4.36 -1.26 -3.32 121.20 107.54 1x68 s ILE 57 Ca 0.38 -0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 1x68 s ILE 57 Cb -0.03 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.52 1x68 s ILE 57 CO 0.24 0.38 -0.05 -0.36 0.24 0.00 0.00 174.94 175.39 1x68 s PHE 58 N 1.44 0.63 0.61 1.37 0.08 -0.74 -0.91 117.98 120.45 1x68 s PHE 58 Ca 0.01 -0.87 -0.15 0.00 0.12 0.00 0.00 56.93 56.04 1x68 s PHE 58 Cb -0.13 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1x68 s PHE 58 CO -0.06 -0.24 1.06 0.00 -0.10 0.00 0.00 175.22 175.88 1x68 h GLN 60 N 0.26 -0.14 0.39 0.00 4.15 -1.90 -1.86 115.11 116.01 1x68 h GLN 60 Ca -0.46 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.96 1x68 h GLN 60 Cb 1.22 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 1x68 h GLN 60 CO 0.57 -0.09 -0.45 0.87 -1.93 0.00 0.00 178.83 177.80 1x68 h LYS 61 N -0.15 -0.84 -0.09 1.69 6.56 -1.92 0.16 116.57 121.99 1x68 h LYS 61 Ca 0.23 0.06 0.03 0.00 -1.06 0.00 0.00 60.65 59.90 1x68 h LYS 61 Cb 0.52 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1x68 h LYS 61 CO -0.61 -0.56 0.16 0.00 -2.06 0.00 0.00 179.45 176.38 1x68 n GLY 63 N -1.28 -1.02 3.48 0.00 0.00 -0.76 -4.76 105.19 100.85 1x68 n GLY 63 Ca -0.01 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1x68 n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x68 s SER 64 N -4.97 6.63 0.00 1.61 0.15 0.50 -4.74 113.70 112.89 1x68 s SER 64 Ca -0.08 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1x68 s SER 64 Cb 0.11 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1x68 s SER 64 CO 0.87 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1x68 n GLY 65 N 5.74 -1.62 3.56 9.45 0.00 -1.26 -4.85 105.19 116.21 1x68 n GLY 65 Ca 0.28 0.95 -0.39 0.00 0.00 0.00 0.00 46.02 46.86 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 0.00 3.46 -1.41 1.61 -1.94 -1.26 -4.87 119.30 114.88 1x68 s MET 66 Ca 0.00 -1.07 -0.14 0.00 -1.71 0.00 0.00 55.69 52.77 1x68 s MET 66 Cb 0.00 -5.33 0.06 0.00 2.01 0.00 0.00 34.83 31.57 1x68 s MET 66 CO 0.00 -2.40 2.11 -0.25 -0.01 0.00 0.00 175.02 174.47 1x68 n ASP 67 N 9.63 4.17 -3.37 3.03 8.00 -1.26 -4.73 116.55 132.03 1x68 n ASP 67 Ca 0.35 -2.88 -0.26 0.00 0.71 0.00 0.00 54.79 52.71 1x68 n ASP 67 Cb 0.50 -1.65 -0.08 0.00 -0.02 0.00 0.00 41.12 39.87 1x68 n ASP 67 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1x68 n THR 68 N 5.10 0.99 0.87 -3.53 -2.24 -1.26 -4.86 114.28 109.35 1x68 n THR 68 Ca 0.50 -4.65 0.13 0.00 -2.27 0.00 0.00 64.05 57.76 1x68 n THR 68 Cb 0.40 -2.03 0.50 0.00 -2.10 0.00 0.00 70.33 67.09 1x68 n THR 68 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x68 n ASP 69 N 1.24 0.32 -4.56 3.42 8.00 -1.26 -4.69 116.55 119.01 1x68 n ASP 69 Ca 0.26 0.42 -0.27 0.00 0.71 0.00 0.00 54.79 55.92 1x68 n ASP 69 Cb 0.45 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 1x68 n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1x68 s ILE 70 N -3.04 3.30 0.18 0.53 1.01 -1.26 -4.88 121.20 117.04 1x68 s ILE 70 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 1x68 s ILE 70 Cb 0.17 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1x68 s ILE 70 CO 0.58 -0.67 0.38 -0.55 0.00 0.00 0.00 174.94 174.67 1x68 s SER 71 N 8.97 -0.08 0.00 3.58 0.15 -1.26 -5.08 113.70 119.98 1x68 s SER 71 Ca 0.76 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1x68 s SER 71 Cb -0.10 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1x68 s SER 71 CO 0.07 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1x68 n GLY 72 N -0.26 -1.00 3.70 9.45 0.00 -1.26 -5.18 105.19 110.64 1x68 n GLY 72 Ca -0.08 0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1x68 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x68 s PRO 73 N 0.00 0.95 0.32 1.61 0.04 -1.26 -5.09 135.00 131.57 1x68 s PRO 73 Ca 0.00 0.70 0.01 0.00 0.04 0.00 0.00 61.00 61.75 1x68 s PRO 73 Cb 0.00 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1x68 s PRO 73 CO 0.00 -2.42 0.37 -1.54 0.04 0.00 0.00 177.00 173.45 1x68 s SER 74 N -3.45 1.13 1.01 6.66 1.04 -1.26 -5.17 113.70 113.66 1x68 s SER 74 Ca 0.64 -1.57 -0.14 0.00 0.48 0.00 0.00 55.95 55.36 1x68 s SER 74 Cb -0.18 0.60 0.20 0.00 0.10 0.00 0.00 66.02 66.73 1x68 s SER 74 CO 0.57 -1.17 1.12 -0.24 0.98 0.00 0.00 173.24 174.50 1x68 n SER 75 N -1.35 -0.06 0.00 7.02 2.88 -1.26 -5.36 113.62 115.50 1x68 n SER 75 Ca 0.04 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 1x68 n SER 75 Cb 0.62 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1x68 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42