#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 -0.37 -0.07 1.61 3.41 -1.26 -4.92 113.62 112.02 1x68 n SER 2 Ca 0.00 -1.90 -0.01 0.00 -0.26 0.00 0.00 58.87 56.70 1x68 n SER 2 Cb 0.00 0.80 -0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1x68 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x68 n SER 3 N -2.32 -5.20 -4.05 4.04 2.88 -1.26 -4.97 113.62 102.75 1x68 n SER 3 Ca 0.03 0.02 -0.22 0.00 -1.33 0.00 0.00 58.87 57.37 1x68 n SER 3 Cb 0.25 -2.78 -0.09 0.00 -0.75 0.00 0.00 64.21 60.84 1x68 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x68 s GLY 4 N -2.05 2.31 0.34 0.46 0.00 -1.26 -5.18 107.32 101.93 1x68 s GLY 4 Ca 0.00 -1.59 0.09 0.00 0.00 0.00 0.00 44.72 43.21 1x68 s GLY 4 CO 0.00 -1.70 0.07 -0.56 0.00 0.00 0.00 173.10 170.90 1x68 s SER 5 N -3.48 4.41 0.06 1.64 0.01 -1.26 -5.16 113.70 109.91 1x68 s SER 5 Ca 0.31 -0.88 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 1x68 s SER 5 Cb 0.04 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1x68 s SER 5 CO 0.17 -0.25 0.20 -0.44 0.41 0.00 0.00 173.24 173.33 1x68 s SER 6 N -3.77 0.06 0.00 2.44 0.01 -1.26 -5.12 113.70 106.05 1x68 s SER 6 Ca 0.36 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1x68 s SER 6 Cb -0.01 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1x68 s SER 6 CO 0.21 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1x68 n GLY 7 N 0.42 -1.20 3.59 3.44 0.00 -1.26 -4.59 105.19 105.59 1x68 n GLY 7 Ca -0.17 -1.59 -0.51 0.00 0.00 0.00 0.00 46.02 43.75 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 6.18 0.33 -0.01 0.00 2.07 -1.78 0.52 116.25 123.56 1x68 h VAL 9 Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1x68 h VAL 9 Cb 1.30 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1x68 h VAL 9 CO 0.98 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 178.55 1x68 n ALA 10 N -2.24 2.64 -0.72 1.67 0.00 -1.26 -4.49 120.51 116.11 1x68 n ALA 10 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1x68 n ALA 10 Cb 0.43 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -4.55 -4.43 0.00 2.88 0.16 -4.95 113.62 102.74 1x68 n SER 12 Ca 0.00 -0.92 -0.30 0.00 -1.33 0.00 0.00 58.87 56.32 1x68 n SER 12 Cb 0.00 -3.83 -0.13 0.00 -0.75 0.00 0.00 64.21 59.50 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 -5.71 1.80 -0.20 -1.46 -0.14 -1.26 -4.85 119.74 107.92 1x68 s LYS 13 Ca 0.36 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.55 1x68 s LYS 13 Cb -0.11 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 1x68 s LYS 13 CO 0.83 0.50 1.79 -1.25 -0.76 0.00 0.00 175.35 176.46 1x68 s PRO 14 N -1.69 3.66 0.60 -1.68 0.04 -1.26 -2.32 135.00 132.35 1x68 s PRO 14 Ca 0.15 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 1x68 s PRO 14 Cb -0.10 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.29 1x68 s PRO 14 CO 0.06 -1.47 0.96 0.42 0.04 0.00 0.00 177.00 177.01 1x68 s ILE 15 N 5.88 4.24 0.70 0.56 1.01 -1.26 -5.00 121.20 127.34 1x68 s ILE 15 Ca 0.80 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 61.74 1x68 s ILE 15 Cb -0.28 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.53 1x68 s ILE 15 CO 0.32 -0.81 1.18 -0.44 0.00 0.00 0.00 174.94 175.19 1x68 s SER 16 N -4.23 4.50 -0.58 3.58 0.01 -1.26 -4.89 113.70 110.83 1x68 s SER 16 Ca 0.54 2.25 -0.06 0.00 1.31 0.00 0.00 55.95 59.99 1x68 s SER 16 Cb -0.11 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.39 1x68 s SER 16 CO 0.50 -2.05 2.88 0.61 0.41 0.00 0.00 173.24 175.59 1x68 n GLY 17 N 0.14 3.15 3.37 3.44 0.00 -1.26 -4.65 105.19 109.38 1x68 n GLY 17 Ca 0.12 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 3.13 0.95 -0.37 0.99 4.32 -1.26 -4.87 117.00 119.89 1x68 n LEU 18 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1x68 n LEU 18 Cb 0.51 -1.96 0.00 0.00 -1.62 0.00 0.00 43.42 40.35 1x68 n LEU 18 CO 0.43 -0.74 0.12 1.07 -1.22 0.00 0.00 177.39 177.05 1x68 n THR 19 N -1.88 0.00 0.00 -5.08 5.66 -1.26 -4.51 114.28 107.22 1x68 n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1x68 n THR 19 Cb 0.26 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1x68 n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x68 n GLY 20 N 0.20 1.77 3.81 1.09 0.00 -1.26 -5.13 105.19 105.67 1x68 n GLY 20 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.57 -0.49 4.61 0.00 -1.26 -5.02 121.76 120.17 1x68 s ALA 21 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1x68 s ALA 21 Cb 0.00 -3.17 0.11 0.00 0.00 0.00 0.00 23.12 20.07 1x68 s ALA 21 CO 0.00 -1.36 0.39 0.21 0.00 0.00 0.00 175.76 175.00 1x68 s LYS 22 N -5.06 2.69 0.14 0.00 2.36 -1.26 -5.04 119.74 113.57 1x68 s LYS 22 Ca 0.59 -1.69 -0.01 0.00 -2.55 0.00 0.00 55.97 52.31 1x68 s LYS 22 Cb -0.14 -4.04 -0.04 0.00 -1.05 0.00 0.00 37.83 32.56 1x68 s LYS 22 CO 0.55 -1.20 0.07 -0.59 1.55 0.00 0.00 175.35 175.73 1x68 s PHE 23 N 1.46 0.86 0.12 4.03 -0.71 -1.26 -4.34 117.98 118.15 1x68 s PHE 23 Ca 0.04 -1.22 0.09 0.00 -1.04 0.00 0.00 56.93 54.80 1x68 s PHE 23 Cb -0.27 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.04 1x68 s PHE 23 CO 0.01 -0.54 -0.18 0.42 -1.34 0.00 0.00 175.22 173.59 1x68 s ILE 24 N -4.05 2.81 -0.03 -4.49 -1.09 -0.36 -4.87 121.20 109.11 1x68 s ILE 24 Ca 0.25 -1.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.15 1x68 s ILE 24 Cb 0.07 -2.29 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 1x68 s ILE 24 CO 0.02 0.08 -0.10 0.00 -1.23 0.00 0.00 174.94 173.72 1x68 s PHE 26 N 0.24 -0.28 -1.17 0.00 5.36 0.16 -4.91 117.98 117.38 1x68 s PHE 26 Ca -0.04 0.30 -0.11 0.00 -0.96 0.00 0.00 56.93 56.12 1x68 s PHE 26 Cb -0.10 -0.33 -0.02 0.00 -0.34 0.00 0.00 43.02 42.23 1x68 s PHE 26 CO 0.01 -0.57 0.79 1.04 -1.46 0.00 0.00 175.22 175.03 1x68 n GLN 27 N 5.32 -2.59 0.00 10.12 3.00 -1.26 -2.47 117.38 129.51 1x68 n GLN 27 Ca -0.05 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1x68 n GLN 27 Cb 0.50 -4.85 0.00 0.00 0.00 0.00 0.00 30.24 25.89 1x68 n GLN 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1x68 n ASP 28 N -2.92 0.00 -4.79 1.08 9.92 -1.26 -4.96 116.55 113.62 1x68 n ASP 28 Ca -0.15 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.75 1x68 n ASP 28 Cb 0.63 -0.62 -0.07 0.00 -0.64 0.00 0.00 41.12 40.42 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1x68 s SER 29 N -1.46 7.25 0.00 -2.24 0.01 -1.03 -5.06 113.70 111.17 1x68 s SER 29 Ca 0.00 1.80 0.08 0.00 1.31 0.00 0.00 55.95 59.14 1x68 s SER 29 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1x68 s SER 29 CO 0.00 -0.13 -0.26 -1.10 0.41 0.00 0.00 173.24 172.16 1x68 s GLN 30 N -2.31 2.00 0.17 12.44 -0.21 -1.26 -0.66 119.66 129.83 1x68 s GLN 30 Ca 0.53 -1.00 0.03 0.00 0.02 0.00 0.00 55.36 54.94 1x68 s GLN 30 Cb -0.16 -2.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.78 1x68 s GLN 30 CO 0.21 0.54 -0.04 -1.58 -2.12 0.00 0.00 175.29 172.31 1x68 s TRP 31 N -0.69 1.30 0.40 0.91 0.51 -0.38 -2.26 118.94 118.72 1x68 s TRP 31 Ca 0.11 -0.90 -0.22 0.00 -2.12 0.00 0.00 56.10 52.96 1x68 s TRP 31 Cb -0.10 -0.72 -0.11 0.00 -0.81 0.00 0.00 33.47 31.74 1x68 s TRP 31 CO 0.00 -0.06 0.95 -1.01 -0.51 0.00 0.00 176.95 176.32 1x68 s HIS 32 N -3.48 3.40 -1.11 -1.98 3.76 -1.26 -1.22 115.29 113.40 1x68 s HIS 32 Ca 0.22 1.66 0.01 0.00 -0.15 0.00 0.00 55.06 56.79 1x68 s HIS 32 Cb 0.05 -2.88 0.04 0.00 1.11 0.00 0.00 32.58 30.89 1x68 s HIS 32 CO 0.03 -0.05 0.97 0.45 -0.85 0.00 0.00 174.74 175.30 1x68 n SER 33 N -0.32 0.00 -0.06 1.40 2.88 -1.26 -1.70 113.62 114.56 1x68 n SER 33 Ca 0.06 0.44 -0.08 0.00 -1.33 0.00 0.00 58.87 57.96 1x68 n SER 33 Cb 0.53 -0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 63.47 1x68 n SER 33 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1x68 n GLU 34 N -1.45 0.98 -0.17 -1.46 4.07 -1.26 -4.66 120.64 116.69 1x68 n GLU 34 Ca 0.00 0.05 0.02 0.00 -0.06 0.00 0.00 57.16 57.17 1x68 n GLU 34 Cb 0.01 -1.26 0.08 0.00 -0.06 0.00 0.00 31.44 30.21 1x68 n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x68 s PHE 36 N -1.45 3.55 0.30 0.00 5.36 -1.07 -4.62 117.98 120.05 1x68 s PHE 36 Ca 0.12 -2.33 -0.06 0.00 -0.96 0.00 0.00 56.93 53.69 1x68 s PHE 36 Cb 0.08 -3.08 -0.00 0.00 -0.34 0.00 0.00 43.02 39.68 1x68 s PHE 36 CO 0.04 -0.95 0.44 0.54 -1.46 0.00 0.00 175.22 173.83 1x68 s ASN 37 N 1.75 0.48 0.04 6.13 2.20 -1.26 -2.17 114.94 122.11 1x68 s ASN 37 Ca 0.07 -1.29 -0.30 0.00 -0.94 0.00 0.00 52.86 50.40 1x68 s ASN 37 Cb -0.22 0.61 -0.09 0.00 -2.00 0.00 0.00 41.25 39.55 1x68 s ASN 37 CO -0.04 -1.20 1.90 0.00 -2.94 0.00 0.00 177.10 174.82 1x68 h GLY 39 N 10.17 0.00 1.25 0.00 0.00 -1.57 0.16 103.07 113.09 1x68 h GLY 39 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1x68 h GLY 39 CO 0.94 0.00 -0.70 0.50 0.00 0.00 0.00 176.54 177.28 1x68 h LYS 40 N 0.00 0.00 0.00 4.80 1.57 -1.90 -3.43 116.57 117.61 1x68 h LYS 40 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1x68 h LYS 40 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1x68 h LYS 40 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1x68 n SER 42 N 0.00 -0.80 -4.73 0.00 7.64 0.50 -4.96 113.62 111.26 1x68 n SER 42 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1x68 n SER 42 Cb 0.00 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 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 -3.12 3.21 0.48 0.44 0.11 -1.26 -4.55 120.40 115.71 1x68 s VAL 43 Ca 0.00 0.97 -0.23 0.00 -2.93 0.00 0.00 61.98 59.79 1x68 s VAL 43 Cb 0.00 -3.62 -0.08 0.00 -1.53 0.00 0.00 36.38 31.15 1x68 s VAL 43 CO 0.00 0.13 1.25 -0.24 -3.33 0.00 0.00 175.10 172.91 1x68 n SER 44 N 2.83 2.32 -0.13 3.54 2.88 -1.26 -0.84 113.62 122.96 1x68 n SER 44 Ca 0.07 1.03 0.04 0.00 -1.33 0.00 0.00 58.87 58.68 1x68 n SER 44 Cb 0.43 -1.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.36 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 -0.28 0.87 -4.66 2.46 4.77 -0.92 -4.80 117.00 114.43 1x68 n LEU 45 Ca 0.09 -0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 1x68 n LEU 45 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1x68 n LEU 45 CO 0.56 0.18 1.47 -0.69 -1.33 0.00 0.00 177.39 177.59 1x68 s VAL 46 N -1.43 3.30 0.00 4.08 1.01 -1.26 -2.02 120.40 124.08 1x68 s VAL 46 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1x68 s VAL 46 Cb 0.07 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1x68 s VAL 46 CO 0.26 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1x68 n GLY 47 N 4.31 0.67 3.29 4.51 0.00 -1.26 -5.05 105.19 111.66 1x68 n GLY 47 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.21 1.36 0.03 1.61 -2.85 -0.86 -5.11 119.74 113.71 1x68 s LYS 48 Ca 0.00 -1.72 -0.30 0.00 -1.00 0.00 0.00 55.97 52.94 1x68 s LYS 48 Cb 0.00 -0.19 -0.08 0.00 -2.06 0.00 0.00 37.83 35.50 1x68 s LYS 48 CO 0.00 -0.29 1.66 0.20 0.10 0.00 0.00 175.35 177.02 1x68 s GLY 49 N -3.28 1.56 0.38 0.59 0.00 -1.26 -4.96 107.32 100.35 1x68 s GLY 49 Ca 0.37 1.14 0.08 0.00 0.00 0.00 0.00 44.72 46.30 1x68 s GLY 49 CO 0.13 2.95 0.06 -0.11 0.00 0.00 0.00 173.10 176.12 1x68 s PHE 50 N 3.08 2.55 0.05 1.90 -0.71 -1.26 -3.90 117.98 119.69 1x68 s PHE 50 Ca 0.74 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 56.07 1x68 s PHE 50 Cb -0.38 -1.71 -0.04 0.00 -1.21 0.00 0.00 43.02 39.68 1x68 s PHE 50 CO 0.32 0.38 -0.02 -0.51 -1.34 0.00 0.00 175.22 174.05 1x68 s LEU 51 N -3.77 2.46 -0.18 -1.99 1.02 -0.18 -4.91 118.68 111.12 1x68 s LEU 51 Ca 0.37 -0.98 -0.02 0.00 0.02 0.00 0.00 54.13 53.52 1x68 s LEU 51 Cb 0.04 0.22 0.05 0.00 0.02 0.00 0.00 46.19 46.52 1x68 s LEU 51 CO 0.20 -0.60 0.00 0.42 0.02 0.00 0.00 176.35 176.39 1x68 s THR 52 N -3.87 0.77 0.04 5.49 -4.23 -1.26 -0.86 115.64 111.72 1x68 s THR 52 Ca 0.07 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1x68 s THR 52 Cb 0.08 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 1x68 s THR 52 CO -0.10 -0.08 0.06 -1.58 -0.54 0.00 0.00 174.62 172.38 1x68 s GLN 53 N 1.76 0.59 -1.16 3.99 0.74 -1.01 -4.87 119.66 119.70 1x68 s GLN 53 Ca -0.01 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.52 1x68 s GLN 53 Cb -0.16 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.18 1x68 s GLN 53 CO -0.07 -0.14 0.07 0.09 -0.55 0.00 0.00 175.29 174.69 1x68 n ASN 54 N 0.61 -4.14 -2.19 6.67 4.13 -1.26 -0.67 115.26 118.42 1x68 n ASN 54 Ca -0.18 0.10 -0.19 0.00 1.68 0.00 0.00 54.58 56.00 1x68 n ASN 54 Cb 0.59 -3.50 -0.03 0.00 -1.54 0.00 0.00 39.78 35.31 1x68 n ASN 54 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x68 n LYS 55 N -2.96 -1.72 -4.58 3.52 4.01 -1.26 -4.97 118.16 110.19 1x68 n LYS 55 Ca -0.14 0.95 -0.27 0.00 -0.51 0.00 0.00 58.31 58.34 1x68 n LYS 55 Cb 0.61 -5.52 -0.09 0.00 -0.51 0.00 0.00 35.03 29.52 1x68 n LYS 55 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1x68 s GLU 56 N -4.67 1.95 -0.17 1.97 2.02 0.16 -5.16 118.70 114.81 1x68 s GLU 56 Ca 0.00 -2.18 -0.02 0.00 0.02 0.00 0.00 54.97 52.79 1x68 s GLU 56 Cb 0.00 -1.04 -0.01 0.00 0.10 0.00 0.00 34.13 33.17 1x68 s GLU 56 CO 0.00 -0.34 -0.08 0.96 0.02 0.00 0.00 175.26 175.82 1x68 s ILE 57 N -3.08 3.32 0.17 -1.63 -4.36 -1.26 -2.39 121.20 111.97 1x68 s ILE 57 Ca 0.22 -0.54 0.02 0.00 -0.26 0.00 0.00 60.65 60.09 1x68 s ILE 57 Cb 0.04 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 1x68 s ILE 57 CO 0.12 0.48 -0.02 -0.36 0.24 0.00 0.00 174.94 175.40 1x68 s PHE 58 N 0.75 1.23 0.45 1.37 0.08 -0.04 -1.34 117.98 120.48 1x68 s PHE 58 Ca -0.04 -0.96 -0.03 0.00 0.12 0.00 0.00 56.93 56.02 1x68 s PHE 58 Cb -0.15 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 1x68 s PHE 58 CO 0.02 -0.14 0.72 0.00 -0.10 0.00 0.00 175.22 175.71 1x68 h GLN 60 N 0.34 -0.43 -1.01 0.00 4.20 -1.91 -0.75 115.11 115.54 1x68 h GLN 60 Ca -0.47 0.03 0.27 0.00 0.06 0.00 0.00 58.65 58.53 1x68 h GLN 60 Cb 1.22 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 29.03 1x68 h GLN 60 CO 0.61 -0.29 0.69 0.87 -0.67 0.00 0.00 178.83 180.04 1x68 h LYS 61 N -0.45 0.24 0.00 1.46 1.57 -1.95 -0.09 116.57 117.35 1x68 h LYS 61 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1x68 h LYS 61 Cb 0.60 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1x68 h LYS 61 CO -0.40 0.16 -0.02 0.00 -0.57 0.00 0.00 179.45 178.62 1x68 n GLY 63 N 1.69 2.23 0.97 0.00 0.00 -0.42 -4.57 105.19 105.09 1x68 n GLY 63 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.17 2.04 -1.53 1.61 2.88 -0.14 -4.79 113.62 113.86 1x68 n SER 64 Ca 0.09 -1.42 -0.02 0.00 -1.33 0.00 0.00 58.87 56.20 1x68 n SER 64 Cb 0.62 -0.35 0.01 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.62 1.49 3.72 0.46 0.00 -1.26 -5.10 105.19 105.11 1x68 n GLY 65 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.02 0.89 -1.57 1.61 -1.94 -1.26 -4.92 119.30 110.09 1x68 s MET 66 Ca 0.05 0.55 -0.09 0.00 -1.71 0.00 0.00 55.69 54.49 1x68 s MET 66 Cb -0.01 -1.79 -0.05 0.00 2.01 0.00 0.00 34.83 35.00 1x68 s MET 66 CO 0.03 -2.43 2.83 -0.40 -0.01 0.00 0.00 175.02 175.04 1x68 n ASP 67 N -3.97 8.46 -4.55 3.03 5.75 -1.26 -4.91 116.55 119.10 1x68 n ASP 67 Ca 0.06 -2.69 -0.34 0.00 -0.01 0.00 0.00 54.79 51.81 1x68 n ASP 67 Cb 0.57 -1.53 -0.04 0.00 -1.03 0.00 0.00 41.12 39.10 1x68 n ASP 67 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1x68 s THR 68 N 1.58 3.16 -0.02 2.12 -4.23 -1.26 -4.91 115.64 112.08 1x68 s THR 68 Ca 0.66 0.04 -0.21 0.00 -1.18 0.00 0.00 61.69 61.00 1x68 s THR 68 Cb 0.18 -3.40 0.04 0.00 1.34 0.00 0.00 72.50 70.66 1x68 s THR 68 CO -0.07 -0.39 0.46 -0.62 -0.54 0.00 0.00 174.62 173.46 1x68 s ASP 69 N 10.38 -0.37 -1.03 3.99 2.15 -1.26 -5.07 116.67 125.46 1x68 s ASP 69 Ca 0.85 0.30 -0.20 0.00 0.43 0.00 0.00 52.55 53.93 1x68 s ASP 69 Cb -0.14 0.41 0.09 0.00 -0.30 0.00 0.00 42.92 42.98 1x68 s ASP 69 CO 0.20 -0.53 1.36 -0.63 -0.17 0.00 0.00 175.17 175.40 1x68 s ILE 70 N -1.42 4.33 0.79 4.11 -1.09 -1.26 -4.99 121.20 121.67 1x68 s ILE 70 Ca -0.12 -1.34 -0.14 0.00 -2.23 0.00 0.00 60.65 56.83 1x68 s ILE 70 Cb -0.03 -4.96 0.06 0.00 -1.58 0.00 0.00 42.46 35.95 1x68 s ILE 70 CO 0.05 -1.77 1.11 -1.20 -1.23 0.00 0.00 174.94 171.91 1x68 n SER 71 N 7.72 0.77 -3.52 3.58 7.64 -1.26 -5.05 113.62 123.50 1x68 n SER 71 Ca 0.32 0.59 -0.20 0.00 1.01 0.00 0.00 58.87 60.59 1x68 n SER 71 Cb 0.49 -1.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.17 1x68 n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x68 n GLY 72 N 0.72 3.63 0.13 0.23 0.00 -1.26 -5.03 105.19 103.61 1x68 n GLY 72 Ca 0.13 -2.20 0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.77 0.16 -1.73 1.61 -0.04 -1.26 -4.61 135.00 128.36 1x68 n PRO 73 Ca -0.10 0.48 -0.35 0.00 -0.04 0.00 0.00 63.50 63.49 1x68 n PRO 73 Cb 0.44 -1.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 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 -4.08 4.69 0.34 3.54 0.01 -1.26 -4.91 113.70 112.03 1x68 s SER 74 Ca 0.02 0.70 0.01 0.00 1.31 0.00 0.00 55.95 57.99 1x68 s SER 74 Cb 0.08 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 1x68 s SER 74 CO 0.32 -2.79 0.04 -0.24 0.41 0.00 0.00 173.24 170.98 1x68 n SER 75 N 15.03 2.31 0.00 2.44 2.88 -1.26 -5.15 113.62 129.86 1x68 n SER 75 Ca 0.32 -2.61 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 1x68 n SER 75 Cb 0.53 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1x68 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42