#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 1.75 0.15 1.61 0.15 -1.26 -5.01 113.70 111.10 1x68 s SER 2 Ca 0.00 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.44 1x68 s SER 2 Cb 0.00 -0.77 -0.07 0.00 -1.71 0.00 0.00 66.02 63.46 1x68 s SER 2 CO 0.00 -0.02 1.35 -1.28 1.20 0.00 0.00 173.24 174.49 1x68 h SER 3 N 7.30 0.08 -3.90 5.45 0.87 -2.02 -3.48 113.55 117.84 1x68 h SER 3 Ca -0.31 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.23 1x68 h SER 3 Cb 1.17 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1x68 h SER 3 CO 0.46 0.96 -0.08 0.61 -0.53 0.00 0.00 176.83 178.24 1x68 n GLY 4 N 1.07 -1.47 3.15 5.77 0.00 -1.26 -4.14 105.19 108.31 1x68 n GLY 4 Ca -0.02 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 1x68 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x68 s SER 5 N -3.14 1.30 -0.94 1.61 0.01 -1.26 -4.92 113.70 106.36 1x68 s SER 5 Ca 0.00 -0.77 -0.07 0.00 1.31 0.00 0.00 55.95 56.42 1x68 s SER 5 Cb 0.00 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 1x68 s SER 5 CO 0.00 -0.26 0.78 -1.20 0.41 0.00 0.00 173.24 172.97 1x68 n SER 6 N 0.73 -6.57 -2.38 2.44 7.64 -1.26 -5.01 113.62 109.21 1x68 n SER 6 Ca -0.17 -0.59 -0.04 0.00 1.01 0.00 0.00 58.87 59.08 1x68 n SER 6 Cb 0.57 -4.46 0.02 0.00 -1.01 0.00 0.00 64.21 59.33 1x68 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x68 n GLY 7 N -1.57 0.65 3.66 0.23 0.00 -1.26 -4.76 105.19 102.15 1x68 n GLY 7 Ca -0.08 -1.95 -0.53 0.00 0.00 0.00 0.00 46.02 43.46 1x68 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x68 n VAL 9 N 3.78 1.64 0.01 0.00 0.31 -0.42 0.20 118.33 123.85 1x68 n VAL 9 Ca 0.22 0.41 0.07 0.00 -0.01 0.00 0.00 64.34 65.03 1x68 n VAL 9 Cb 0.18 -1.40 0.16 0.00 -0.91 0.00 0.00 33.84 31.87 1x68 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x68 n ALA 10 N -1.41 2.30 -0.90 3.52 0.00 -1.26 -4.77 120.51 117.98 1x68 n ALA 10 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1x68 n ALA 10 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -4.49 -4.80 0.00 3.41 0.13 -4.85 113.62 103.02 1x68 n SER 12 Ca 0.00 0.37 -0.37 0.00 -0.26 0.00 0.00 58.87 58.61 1x68 n SER 12 Cb 0.07 -3.88 -0.06 0.00 -0.26 0.00 0.00 64.21 60.08 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 -3.21 4.42 0.06 4.33 1.02 -1.26 -4.47 119.74 120.63 1x68 s LYS 13 Ca 0.00 1.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.78 1x68 s LYS 13 Cb 0.00 -2.84 -0.06 0.00 -0.52 0.00 0.00 37.83 34.41 1x68 s LYS 13 CO 0.00 0.34 1.33 -1.25 -0.92 0.00 0.00 175.35 174.84 1x68 s PRO 14 N -2.02 4.35 0.68 -1.68 0.04 -1.26 -1.05 135.00 134.06 1x68 s PRO 14 Ca 0.47 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1x68 s PRO 14 Cb -0.18 -3.38 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 1x68 s PRO 14 CO 0.22 -0.42 1.07 0.42 0.04 0.00 0.00 177.00 178.33 1x68 s ILE 15 N 1.48 4.00 -0.75 0.56 1.01 -1.26 -4.94 121.20 121.30 1x68 s ILE 15 Ca 0.62 0.65 -0.06 0.00 0.00 0.00 0.00 60.65 61.86 1x68 s ILE 15 Cb -0.33 -3.59 0.19 0.00 0.01 0.00 0.00 42.46 38.75 1x68 s ILE 15 CO 0.29 -0.85 0.62 -0.55 0.00 0.00 0.00 174.94 174.44 1x68 s SER 16 N -4.17 5.88 0.94 3.58 0.15 -1.26 -5.07 113.70 113.75 1x68 s SER 16 Ca 0.57 -2.98 -0.12 0.00 0.70 0.00 0.00 55.95 54.12 1x68 s SER 16 Cb -0.12 -1.98 0.15 0.00 -1.71 0.00 0.00 66.02 62.36 1x68 s SER 16 CO 0.53 -0.40 1.11 -0.83 1.20 0.00 0.00 173.24 174.86 1x68 s GLY 17 N 1.01 1.58 -0.80 9.45 0.00 -1.26 -3.93 107.32 113.37 1x68 s GLY 17 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1x68 s GLY 17 CO -0.06 0.15 0.00 -0.10 0.00 0.00 0.00 173.10 173.09 1x68 n LEU 18 N -3.91 -0.81 0.00 0.66 7.94 -1.26 -4.75 117.00 114.87 1x68 n LEU 18 Ca 0.06 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 1x68 n LEU 18 Cb 0.58 -1.78 0.00 0.00 0.53 0.00 0.00 43.42 42.75 1x68 n LEU 18 CO 0.57 -0.16 -0.08 0.41 -1.11 0.00 0.00 177.39 177.03 1x68 n THR 19 N -2.89 0.00 -1.32 1.96 -1.04 -1.25 -5.03 114.28 104.72 1x68 n THR 19 Ca -0.10 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1x68 n THR 19 Cb 0.53 0.86 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 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 0.94 0.95 3.75 3.41 0.00 -1.26 -5.06 105.19 107.91 1x68 n GLY 20 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.04 2.33 -1.29 4.61 0.00 -1.26 -4.94 121.76 119.17 1x68 s ALA 21 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 1x68 s ALA 21 Cb 0.00 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.88 1x68 s ALA 21 CO 0.00 -1.50 1.77 1.63 0.00 0.00 0.00 175.76 177.66 1x68 n LYS 22 N -2.54 3.32 -4.44 0.00 5.02 -1.26 -4.93 118.16 113.33 1x68 n LYS 22 Ca 0.11 -3.42 -0.25 0.00 -2.02 0.00 0.00 58.31 52.74 1x68 n LYS 22 Cb 0.51 -3.14 -0.10 0.00 -0.02 0.00 0.00 35.03 32.28 1x68 n LYS 22 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1x68 s PHE 23 N 2.01 2.34 -0.09 2.13 -0.71 -1.26 -1.91 117.98 120.49 1x68 s PHE 23 Ca 0.45 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 56.05 1x68 s PHE 23 Cb 0.05 -1.05 -0.01 0.00 -1.21 0.00 0.00 43.02 40.81 1x68 s PHE 23 CO 0.00 0.66 -0.22 0.42 -1.34 0.00 0.00 175.22 174.74 1x68 s ILE 24 N -2.28 2.25 -0.19 -4.49 1.09 0.24 -4.89 121.20 112.93 1x68 s ILE 24 Ca 0.28 -0.96 0.01 0.00 -1.10 0.00 0.00 60.65 58.87 1x68 s ILE 24 Cb -0.06 -1.86 0.04 0.00 -1.06 0.00 0.00 42.46 39.51 1x68 s ILE 24 CO 0.14 0.56 -0.12 0.00 -0.10 0.00 0.00 174.94 175.42 1x68 s PHE 26 N 1.41 -0.28 -0.90 0.00 0.08 -1.18 -4.96 117.98 112.15 1x68 s PHE 26 Ca 0.00 0.69 -0.20 0.00 0.12 0.00 0.00 56.93 57.54 1x68 s PHE 26 Cb -0.15 0.02 0.03 0.00 -0.57 0.00 0.00 43.02 42.35 1x68 s PHE 26 CO -0.09 -0.20 0.53 0.94 -0.10 0.00 0.00 175.22 176.30 1x68 n GLN 27 N 4.07 -0.63 -0.33 0.44 -0.06 -1.26 -1.04 117.38 118.57 1x68 n GLN 27 Ca -0.24 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 1x68 n GLN 27 Cb 0.53 -1.81 0.00 0.00 -4.06 0.00 0.00 30.24 24.91 1x68 n GLN 27 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1x68 n ASP 28 N -1.72 0.00 -4.87 1.69 8.00 -1.26 -4.96 116.55 113.43 1x68 n ASP 28 Ca -0.15 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.05 1x68 n ASP 28 Cb 0.49 -2.13 0.01 0.00 -0.02 0.00 0.00 41.12 39.48 1x68 n ASP 28 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1x68 s SER 29 N -2.01 6.12 -0.14 -2.24 0.15 -0.21 -5.08 113.70 110.29 1x68 s SER 29 Ca 0.00 1.35 -0.03 0.00 0.70 0.00 0.00 55.95 57.97 1x68 s SER 29 Cb 0.00 -2.38 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1x68 s SER 29 CO 0.00 -0.92 0.04 0.00 1.20 0.00 0.00 173.24 173.56 1x68 s GLN 30 N -5.18 0.42 0.13 5.44 0.00 -1.26 -3.10 119.66 116.11 1x68 s GLN 30 Ca 0.55 -0.11 0.10 0.00 -0.00 0.00 0.00 55.36 55.91 1x68 s GLN 30 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 33.01 31.30 1x68 s GLN 30 CO 0.53 -0.52 -0.24 -1.58 0.00 0.00 0.00 175.29 173.48 1x68 s TRP 31 N 1.99 2.38 0.26 9.60 0.51 0.08 -1.31 118.94 132.45 1x68 s TRP 31 Ca 0.02 -0.35 -0.16 0.00 -2.12 0.00 0.00 56.10 53.49 1x68 s TRP 31 Cb -0.15 -1.28 -0.08 0.00 -0.81 0.00 0.00 33.47 31.15 1x68 s TRP 31 CO -0.07 0.35 0.70 -1.01 -0.51 0.00 0.00 176.95 176.41 1x68 s HIS 32 N -1.08 3.51 0.17 -1.98 3.76 -1.26 -0.59 115.29 117.81 1x68 s HIS 32 Ca 0.15 1.24 -0.20 0.00 -0.15 0.00 0.00 55.06 56.10 1x68 s HIS 32 Cb -0.10 -2.53 0.09 0.00 1.11 0.00 0.00 32.58 31.14 1x68 s HIS 32 CO 0.07 0.23 1.62 1.03 -0.85 0.00 0.00 174.74 176.84 1x68 h SER 33 N 2.85 -0.83 -0.31 1.40 0.87 -1.73 0.26 113.55 116.08 1x68 h SER 33 Ca -0.48 0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.31 1x68 h SER 33 Cb 1.18 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 1x68 h SER 33 CO 0.66 -0.27 0.21 -0.33 -0.53 0.00 0.00 176.83 176.57 1x68 h GLU 34 N -0.18 0.13 -0.01 2.24 3.07 -1.94 -1.71 114.58 116.18 1x68 h GLU 34 Ca 0.19 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1x68 h GLU 34 Cb 0.48 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1x68 h GLU 34 CO -0.50 0.08 -0.31 0.00 -1.40 0.00 0.00 179.01 176.88 1x68 s PHE 36 N -2.49 2.34 0.08 0.00 5.36 -0.45 -4.83 117.98 118.00 1x68 s PHE 36 Ca 0.23 -0.16 -0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1x68 s PHE 36 Cb 0.19 -4.60 -0.03 0.00 -0.34 0.00 0.00 43.02 38.24 1x68 s PHE 36 CO 0.53 -2.02 0.04 -0.80 -1.46 0.00 0.00 175.22 171.51 1x68 s ASN 37 N 3.80 0.36 0.50 6.13 0.01 -1.26 -2.24 114.94 122.25 1x68 s ASN 37 Ca 0.34 -1.00 -0.23 0.00 -0.71 0.00 0.00 52.86 51.26 1x68 s ASN 37 Cb -0.08 0.26 -0.06 0.00 0.41 0.00 0.00 41.25 41.77 1x68 s ASN 37 CO 0.13 -0.67 1.30 0.00 -1.51 0.00 0.00 177.10 176.35 1x68 h GLY 39 N 1.82 0.07 2.00 0.00 0.00 -1.92 -0.29 103.07 104.74 1x68 h GLY 39 Ca -0.50 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1x68 h GLY 39 CO 0.59 0.08 -0.24 0.50 0.00 0.00 0.00 176.54 177.47 1x68 h LYS 40 N -0.58 0.00 0.00 4.80 1.57 -1.93 -3.37 116.57 117.05 1x68 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x68 h LYS 40 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1x68 h LYS 40 CO 0.01 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.14 1x68 n SER 42 N -0.24 0.00 -4.77 0.00 7.64 -0.12 -4.94 113.62 111.19 1x68 n SER 42 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1x68 n SER 42 Cb 0.04 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 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 -2.83 3.27 0.51 0.44 0.11 -1.26 -4.35 120.40 116.29 1x68 s VAL 43 Ca 0.00 0.92 -0.20 0.00 -2.93 0.00 0.00 61.98 59.77 1x68 s VAL 43 Cb 0.00 -3.45 -0.07 0.00 -1.53 0.00 0.00 36.38 31.33 1x68 s VAL 43 CO 0.00 -0.04 1.10 -0.44 -3.33 0.00 0.00 175.10 172.38 1x68 s SER 44 N -1.49 6.02 0.00 3.54 0.01 -1.26 -0.20 113.70 120.31 1x68 s SER 44 Ca 0.64 2.09 0.08 0.00 1.31 0.00 0.00 55.95 60.07 1x68 s SER 44 Cb -0.26 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.37 1x68 s SER 44 CO 0.31 -1.01 0.46 0.18 0.41 0.00 0.00 173.24 173.60 1x68 n LEU 45 N -1.07 0.81 -4.55 2.44 4.77 -0.95 -4.82 117.00 113.62 1x68 n LEU 45 Ca 0.10 -0.67 -0.33 0.00 -0.03 0.00 0.00 56.01 55.08 1x68 n LEU 45 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1x68 n LEU 45 CO 0.42 0.17 1.52 -0.69 -1.33 0.00 0.00 177.39 177.48 1x68 s VAL 46 N -1.34 3.35 0.00 4.08 1.01 -1.26 -1.70 120.40 124.54 1x68 s VAL 46 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1x68 s VAL 46 Cb 0.06 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1x68 s VAL 46 CO 0.23 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 175.12 1x68 n GLY 47 N 6.20 1.22 3.15 4.51 0.00 -1.26 -5.12 105.19 113.90 1x68 n GLY 47 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1x68 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x68 s LYS 48 N -0.52 1.28 -0.99 1.61 1.02 -0.69 -5.07 119.74 116.38 1x68 s LYS 48 Ca 0.00 -0.63 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 1x68 s LYS 48 Cb 0.00 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.04 1x68 s LYS 48 CO 0.00 0.34 1.76 0.20 -0.92 0.00 0.00 175.35 176.73 1x68 s GLY 49 N -0.53 0.64 0.67 -3.33 0.00 -1.26 -4.91 107.32 98.60 1x68 s GLY 49 Ca 0.06 -1.90 -0.07 0.00 0.00 0.00 0.00 44.72 42.82 1x68 s GLY 49 CO -0.00 3.17 0.98 -0.11 0.00 0.00 0.00 173.10 177.14 1x68 s PHE 50 N 8.03 3.04 0.26 1.90 -0.71 -1.26 -4.40 117.98 124.83 1x68 s PHE 50 Ca 0.60 0.53 0.11 0.00 -1.04 0.00 0.00 56.93 57.14 1x68 s PHE 50 Cb -0.03 -3.04 -0.05 0.00 -1.21 0.00 0.00 43.02 38.69 1x68 s PHE 50 CO -0.03 -1.21 -0.14 -0.51 -1.34 0.00 0.00 175.22 171.99 1x68 s LEU 51 N -5.17 2.76 -0.11 -1.99 1.02 -0.02 -4.95 118.68 110.23 1x68 s LEU 51 Ca 0.58 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1x68 s LEU 51 Cb -0.11 -1.32 0.02 0.00 0.02 0.00 0.00 46.19 44.81 1x68 s LEU 51 CO 0.45 0.04 -0.10 0.42 0.02 0.00 0.00 176.35 177.19 1x68 s THR 52 N -2.30 1.12 0.03 5.49 -4.23 -1.26 -1.16 115.64 113.32 1x68 s THR 52 Ca 0.29 -0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 1x68 s THR 52 Cb -0.06 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 1x68 s THR 52 CO 0.16 0.38 0.09 -1.58 -0.54 0.00 0.00 174.62 173.12 1x68 s GLN 53 N 1.41 0.53 -1.38 3.99 2.00 -1.07 -4.94 119.66 120.21 1x68 s GLN 53 Ca -0.00 -0.66 -0.13 0.00 -2.00 0.00 0.00 55.36 52.57 1x68 s GLN 53 Cb -0.13 0.21 0.11 0.00 0.80 0.00 0.00 33.01 34.00 1x68 s GLN 53 CO -0.05 -0.13 0.56 0.09 -0.50 0.00 0.00 175.29 175.26 1x68 n ASN 54 N 1.01 -3.24 -2.45 6.67 4.13 -1.26 -0.63 115.26 119.49 1x68 n ASN 54 Ca -0.20 -0.60 -0.20 0.00 1.68 0.00 0.00 54.58 55.25 1x68 n ASN 54 Cb 0.57 -2.69 -0.01 0.00 -1.54 0.00 0.00 39.78 36.12 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 -3.88 -1.99 -4.38 3.52 4.76 -1.26 -4.99 118.16 109.94 1x68 n LYS 55 Ca 0.03 0.96 -0.19 0.00 -2.87 0.00 0.00 58.31 56.23 1x68 n LYS 55 Cb 0.51 -5.63 -0.10 0.00 -1.84 0.00 0.00 35.03 27.97 1x68 n LYS 55 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1x68 s GLU 56 N -5.10 1.47 -0.21 1.97 2.02 0.20 -5.15 118.70 113.89 1x68 s GLU 56 Ca 0.02 -1.76 -0.04 0.00 0.02 0.00 0.00 54.97 53.21 1x68 s GLU 56 Cb -0.01 -0.80 -0.01 0.00 0.10 0.00 0.00 34.13 33.41 1x68 s GLU 56 CO 0.03 -0.09 -0.04 0.96 0.02 0.00 0.00 175.26 176.13 1x68 s ILE 57 N -3.30 3.39 -0.01 -1.63 -4.36 -1.26 -2.59 121.20 111.43 1x68 s ILE 57 Ca 0.31 -0.49 0.03 0.00 -0.26 0.00 0.00 60.65 60.24 1x68 s ILE 57 Cb 0.06 -2.54 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 1x68 s ILE 57 CO 0.11 0.43 -0.11 -0.36 0.24 0.00 0.00 174.94 175.25 1x68 s PHE 58 N 1.39 1.02 0.30 1.37 0.08 -0.31 -3.99 117.98 117.84 1x68 s PHE 58 Ca 0.05 -0.20 -0.24 0.00 0.12 0.00 0.00 56.93 56.65 1x68 s PHE 58 Cb -0.14 -0.66 -0.09 0.00 -0.57 0.00 0.00 43.02 41.55 1x68 s PHE 58 CO -0.03 -0.03 0.88 0.00 -0.10 0.00 0.00 175.22 175.95 1x68 n GLN 60 N 0.58 -0.10 -0.34 0.00 6.02 -1.26 0.35 117.38 122.63 1x68 n GLN 60 Ca 0.01 0.78 0.18 0.00 -0.01 0.00 0.00 57.00 57.96 1x68 n GLN 60 Cb 0.50 -1.15 0.39 0.00 1.02 0.00 0.00 30.24 31.00 1x68 n GLN 60 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1x68 h LYS 61 N 0.00 0.50 0.15 -1.09 1.57 -1.96 -1.37 116.57 114.37 1x68 h LYS 61 Ca 0.19 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 1x68 h LYS 61 Cb 0.32 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.54 1x68 h LYS 61 CO -0.50 0.33 -0.89 0.00 -0.57 0.00 0.00 179.45 177.82 1x68 n GLY 63 N 1.68 0.20 2.21 0.00 0.00 -0.60 -4.25 105.19 104.43 1x68 n GLY 63 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.20 6.76 0.00 1.61 2.88 -0.73 -4.83 113.62 119.11 1x68 n SER 64 Ca 0.00 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 1x68 n SER 64 Cb 0.10 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 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 2.50 1.92 3.05 0.46 0.00 -1.26 -4.63 105.19 107.23 1x68 n GLY 65 Ca 0.57 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.60 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 0.57 -0.36 1.61 1.00 -1.26 -5.05 119.30 115.80 1x68 s MET 66 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 55.69 55.05 1x68 s MET 66 Cb 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 34.83 34.21 1x68 s MET 66 CO 0.00 0.10 2.88 -0.25 0.00 0.00 0.00 175.02 177.75 1x68 n ASP 67 N 1.98 4.97 -4.76 3.03 8.00 -1.26 -4.94 116.55 123.58 1x68 n ASP 67 Ca -0.19 -2.33 -0.39 0.00 0.71 0.00 0.00 54.79 52.59 1x68 n ASP 67 Cb 0.56 -1.19 0.03 0.00 -0.02 0.00 0.00 41.12 40.49 1x68 n ASP 67 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x68 s THR 68 N 1.78 2.11 0.28 -3.53 -1.32 -1.26 -5.02 115.64 108.67 1x68 s THR 68 Ca 0.54 0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 61.06 1x68 s THR 68 Cb 0.22 -3.05 0.02 0.00 -1.51 0.00 0.00 72.50 68.19 1x68 s THR 68 CO -0.01 0.00 0.45 0.47 -2.21 0.00 0.00 174.62 173.32 1x68 n ASP 69 N -0.67 -1.29 -4.82 8.08 8.00 -1.26 -5.16 116.55 119.42 1x68 n ASP 69 Ca 0.08 -2.33 -0.33 0.00 0.71 0.00 0.00 54.79 52.92 1x68 n ASP 69 Cb 0.44 2.28 -0.04 0.00 -0.02 0.00 0.00 41.12 43.77 1x68 n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1x68 s ILE 70 N -2.57 4.22 0.07 0.53 -4.36 -1.26 -4.98 121.20 112.84 1x68 s ILE 70 Ca 0.18 1.23 -0.17 0.00 -0.26 0.00 0.00 60.65 61.63 1x68 s ILE 70 Cb -0.02 -3.57 -0.14 0.00 1.25 0.00 0.00 42.46 39.98 1x68 s ILE 70 CO 0.13 -0.45 1.31 -1.28 0.24 0.00 0.00 174.94 174.89 1x68 h SER 71 N 1.29 0.65 -1.76 4.36 0.87 -2.04 -3.49 113.55 113.43 1x68 h SER 71 Ca -0.48 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.52 1x68 h SER 71 Cb 1.20 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1x68 h SER 71 CO 0.60 1.10 0.00 0.61 -0.53 0.00 0.00 176.83 178.61 1x68 n GLY 72 N 0.46 0.58 3.00 5.77 0.00 -1.26 -5.15 105.19 108.58 1x68 n GLY 72 Ca -0.06 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.44 -1.66 -1.78 1.61 -0.04 -1.26 -5.00 135.00 125.43 1x68 n PRO 73 Ca 0.00 -1.57 -0.40 0.00 -0.04 0.00 0.00 63.50 61.50 1x68 n PRO 73 Cb 0.00 -1.18 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 1x68 n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x68 s SER 74 N -4.54 5.80 0.04 3.54 0.15 -1.26 -4.90 113.70 112.53 1x68 s SER 74 Ca 0.59 2.92 -0.30 0.00 0.70 0.00 0.00 55.95 59.86 1x68 s SER 74 Cb -0.03 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.55 1x68 s SER 74 CO 0.43 -1.23 1.75 -0.94 1.20 0.00 0.00 173.24 174.45 1x68 s SER 75 N -0.54 6.56 0.00 5.45 1.04 -1.26 -5.30 113.70 119.65 1x68 s SER 75 Ca 0.62 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.56 1x68 s SER 75 Cb -0.44 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.13 1x68 s SER 75 CO 0.56 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.44