#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1byo s GLU 2 N 0.00 2.75 -0.08 0.00 2.12 -1.26 -0.81 118.70 121.42 1byo s GLU 2 Ca 0.00 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.50 1byo s GLU 2 Cb 0.00 -2.17 0.02 0.00 0.26 0.00 0.00 34.13 32.24 1byo s GLU 2 CO 0.00 0.24 -0.10 0.08 -0.54 0.00 0.00 175.26 174.94 1byo s VAL 3 N 0.18 1.05 0.10 3.70 1.01 -0.10 -4.61 120.40 121.74 1byo s VAL 3 Ca -0.13 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 1byo s VAL 3 Cb -0.16 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 1byo s VAL 3 CO 0.07 0.35 0.66 -0.76 0.00 0.00 0.00 175.10 175.42 1byo s LEU 4 N 0.97 4.54 -0.49 3.92 2.01 -0.25 -0.26 118.68 129.12 1byo s LEU 4 Ca -0.09 1.41 -0.19 0.00 0.01 0.00 0.00 54.13 55.28 1byo s LEU 4 Cb -0.15 -3.07 0.05 0.00 0.01 0.00 0.00 46.19 43.04 1byo s LEU 4 CO 0.00 0.22 0.59 -0.76 1.01 0.00 0.00 176.35 177.41 1byo s LEU 5 N -0.98 5.00 0.00 1.79 1.43 0.16 -1.31 118.68 124.77 1byo s LEU 5 Ca 0.32 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1byo s LEU 5 Cb -0.21 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1byo s LEU 5 CO 0.22 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1byo n GLY 6 N 5.16 -0.56 3.44 -3.19 0.00 0.16 -1.49 105.19 108.71 1byo n GLY 6 Ca -0.07 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1byo n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1byo s SER 7 N -1.75 3.71 0.18 1.61 0.15 0.36 -4.00 113.70 113.97 1byo s SER 7 Ca 0.00 -0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.07 1byo s SER 7 Cb 0.00 -0.60 0.15 0.00 -1.71 0.00 0.00 66.02 63.86 1byo s SER 7 CO 0.00 0.28 1.31 -1.54 1.20 0.00 0.00 173.24 174.49 1byo n SER 8 N 1.80 -0.63 0.00 5.45 3.41 -1.26 0.83 113.62 123.22 1byo n SER 8 Ca -0.16 1.48 0.01 0.00 -0.26 0.00 0.00 58.87 59.94 1byo n SER 8 Cb 0.52 -0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1byo n SER 8 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1byo n ASP 9 N -5.21 0.00 0.00 4.04 5.75 -1.26 -4.72 116.55 115.15 1byo n ASP 9 Ca 0.07 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 1byo n ASP 9 Cb 0.31 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1byo n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1byo n GLY 10 N -0.11 0.65 3.69 6.12 0.00 0.24 -5.02 105.19 110.76 1byo n GLY 10 Ca 0.02 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1byo n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1byo s GLY 11 N -2.54 1.81 -1.27 -0.02 0.00 -0.82 -4.83 107.32 99.64 1byo s GLY 11 Ca 0.00 0.94 -0.10 0.00 0.00 0.00 0.00 44.72 45.56 1byo s GLY 11 CO 0.00 2.57 1.81 1.04 0.00 0.00 0.00 173.10 178.52 1byo n LEU 12 N 5.37 6.39 -3.85 0.66 7.99 -1.26 -0.49 117.00 131.81 1byo n LEU 12 Ca 0.14 -4.59 -0.10 0.00 -0.01 0.00 0.00 56.01 51.45 1byo n LEU 12 Cb 0.43 -1.51 -0.08 0.00 -0.11 0.00 0.00 43.42 42.15 1byo n LEU 12 CO 0.59 1.24 -0.09 0.00 -1.51 0.00 0.00 177.39 177.62 1byo s ALA 13 N 0.73 -0.31 0.18 -1.18 0.00 -1.26 -3.78 121.76 116.14 1byo s ALA 13 Ca 0.41 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1byo s ALA 13 Cb 0.08 0.38 -0.07 0.00 0.00 0.00 0.00 23.12 23.50 1byo s ALA 13 CO 0.00 -0.44 0.99 -0.06 0.00 0.00 0.00 175.76 176.26 1byo s PHE 14 N -3.19 3.81 -0.24 0.00 0.08 -1.26 -0.66 117.98 116.52 1byo s PHE 14 Ca -0.00 1.79 0.01 0.00 0.12 0.00 0.00 56.93 58.85 1byo s PHE 14 Cb 0.02 -3.09 0.06 0.00 -0.57 0.00 0.00 43.02 39.44 1byo s PHE 14 CO -0.07 0.07 -0.06 0.08 -0.10 0.00 0.00 175.22 175.14 1byo s VAL 15 N -0.51 1.61 0.75 -0.44 1.01 -0.43 -2.48 120.40 119.90 1byo s VAL 15 Ca 0.45 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1byo s VAL 15 Cb -0.26 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1byo s VAL 15 CO 0.32 -0.10 1.10 -2.16 0.00 0.00 0.00 175.10 174.26 1byo s PRO 16 N 1.36 2.49 0.00 2.72 0.04 -1.26 -1.09 135.00 139.25 1byo s PRO 16 Ca -0.06 0.54 0.24 0.00 0.04 0.00 0.00 61.00 61.76 1byo s PRO 16 Cb -0.19 -1.97 0.22 0.00 0.04 0.00 0.00 34.50 32.60 1byo s PRO 16 CO -0.06 -1.32 1.27 -1.13 0.04 0.00 0.00 177.00 175.80 1byo n SER 17 N -3.21 2.69 -3.44 6.66 3.41 -1.04 -4.81 113.62 113.87 1byo n SER 17 Ca 0.07 -1.86 -0.08 0.00 -0.26 0.00 0.00 58.87 56.74 1byo n SER 17 Cb 0.57 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 1byo n SER 17 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1byo s ASP 18 N -2.10 -0.02 0.21 4.04 -1.08 -1.26 -1.35 116.67 115.11 1byo s ASP 18 Ca 0.27 0.52 -0.00 0.00 -0.52 0.00 0.00 52.55 52.82 1byo s ASP 18 Cb 0.20 1.26 -0.04 0.00 -1.46 0.00 0.00 42.92 42.87 1byo s ASP 18 CO 0.36 -0.27 0.10 -1.48 0.52 0.00 0.00 175.17 174.40 1byo s LEU 19 N 2.59 1.43 -0.12 -1.34 2.34 -0.78 -5.00 118.68 117.81 1byo s LEU 19 Ca 0.08 -1.36 0.02 0.00 0.06 0.00 0.00 54.13 52.94 1byo s LEU 19 Cb -0.14 0.22 0.01 0.00 -0.56 0.00 0.00 46.19 45.72 1byo s LEU 19 CO -0.15 -0.78 -0.18 -0.44 -1.06 0.00 0.00 176.35 173.74 1byo s SER 20 N -3.20 2.70 0.34 1.48 0.01 -1.26 -1.38 113.70 112.39 1byo s SER 20 Ca 0.36 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.17 1byo s SER 20 Cb 0.07 -1.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.01 1byo s SER 20 CO 0.11 0.05 0.06 0.27 0.41 0.00 0.00 173.24 174.14 1byo s ILE 21 N 0.85 1.21 0.08 1.44 -4.36 -0.04 -4.95 121.20 115.43 1byo s ILE 21 Ca -0.08 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.20 1byo s ILE 21 Cb -0.15 -2.76 -0.06 0.00 1.25 0.00 0.00 42.46 40.74 1byo s ILE 21 CO -0.00 0.00 0.42 0.00 0.24 0.00 0.00 174.94 175.60 1byo s ALA 22 N -3.23 3.70 0.12 2.27 0.00 -1.26 -0.29 121.76 123.06 1byo s ALA 22 Ca 0.35 -0.32 -0.35 0.00 0.00 0.00 0.00 51.96 51.64 1byo s ALA 22 Cb 0.08 -2.32 -0.17 0.00 0.00 0.00 0.00 23.12 20.71 1byo s ALA 22 CO 0.15 0.54 1.09 0.45 0.00 0.00 0.00 175.76 177.99 1byo n SER 23 N 0.99 0.74 0.00 0.00 2.88 0.62 -0.32 113.62 118.53 1byo n SER 23 Ca -0.08 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1byo n SER 23 Cb 0.52 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1byo n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1byo n GLY 24 N 1.97 1.70 3.78 0.46 0.00 0.80 -4.99 105.19 108.92 1byo n GLY 24 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1byo n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1byo s GLU 25 N -0.21 4.33 0.06 1.61 2.12 0.57 -4.83 118.70 122.36 1byo s GLU 25 Ca 0.00 1.56 -0.14 0.00 0.36 0.00 0.00 54.97 56.75 1byo s GLU 25 Cb 0.00 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.59 1byo s GLU 25 CO 0.00 0.00 0.46 0.21 -0.54 0.00 0.00 175.26 175.39 1byo s LYS 26 N -2.18 3.92 -0.20 4.30 2.20 -1.26 -3.41 119.74 123.11 1byo s LYS 26 Ca 0.53 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.53 1byo s LYS 26 Cb -0.24 -3.09 -0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1byo s LYS 26 CO 0.30 0.60 -0.09 0.42 -0.36 0.00 0.00 175.35 176.22 1byo s ILE 27 N -1.26 3.03 -0.25 5.43 1.01 -0.32 0.37 121.20 129.20 1byo s ILE 27 Ca 0.30 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 1byo s ILE 27 Cb -0.16 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1byo s ILE 27 CO 0.17 0.46 0.13 -0.89 0.00 0.00 0.00 174.94 174.80 1byo s THR 28 N 1.29 4.86 -0.44 2.92 2.01 0.01 -1.83 115.64 124.46 1byo s THR 28 Ca 0.03 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.87 1byo s THR 28 Cb -0.14 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1byo s THR 28 CO -0.04 0.32 0.47 -0.36 -0.69 0.00 0.00 174.62 174.31 1byo s PHE 29 N 1.50 3.15 -0.25 4.92 0.08 0.11 -0.92 117.98 126.57 1byo s PHE 29 Ca 0.06 -0.44 -0.10 0.00 0.12 0.00 0.00 56.93 56.57 1byo s PHE 29 Cb -0.15 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 1byo s PHE 29 CO 0.06 -0.77 0.16 0.15 -0.10 0.00 0.00 175.22 174.72 1byo s LYS 30 N 2.20 4.00 0.18 0.44 1.02 0.64 -1.30 119.74 126.92 1byo s LYS 30 Ca 0.12 -0.31 -0.32 0.00 0.02 0.00 0.00 55.97 55.49 1byo s LYS 30 Cb -0.18 -3.54 -0.11 0.00 -0.52 0.00 0.00 37.83 33.48 1byo s LYS 30 CO 0.13 -0.02 1.73 1.21 -0.92 0.00 0.00 175.35 177.49 1byo s ASN 31 N 1.26 6.41 0.14 2.83 2.47 -0.71 -0.67 114.94 126.68 1byo s ASN 31 Ca 0.07 2.81 0.00 0.00 0.42 0.00 0.00 52.86 56.16 1byo s ASN 31 Cb -0.14 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1byo s ASN 31 CO 0.06 -0.97 0.00 -3.20 -3.72 0.00 0.00 177.10 169.28 1byo n ASN 32 N 4.43 0.70 -3.46 -4.21 5.15 -0.56 -4.55 115.26 112.77 1byo n ASN 32 Ca 0.16 0.21 -0.11 0.00 -0.60 0.00 0.00 54.58 54.24 1byo n ASN 32 Cb 0.36 -0.13 -0.02 0.00 -0.53 0.00 0.00 39.78 39.47 1byo n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1byo s ALA 33 N -2.00 -1.62 -0.63 5.20 0.00 -0.81 -4.96 121.76 116.94 1byo s ALA 33 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1byo s ALA 33 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1byo s ALA 33 CO 0.00 -0.77 0.55 0.41 0.00 0.00 0.00 175.76 175.95 1byo n GLY 34 N -0.36 0.26 3.70 0.00 0.00 -1.26 -3.93 105.19 103.59 1byo n GLY 34 Ca -0.15 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1byo n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1byo s PHE 35 N -3.15 1.84 0.47 1.61 0.08 -1.26 -4.68 117.98 112.88 1byo s PHE 35 Ca 0.27 1.73 -0.03 0.00 0.12 0.00 0.00 56.93 59.03 1byo s PHE 35 Cb -0.12 -3.32 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 1byo s PHE 35 CO 0.34 -2.62 0.73 -1.25 -0.10 0.00 0.00 175.22 172.32 1byo s PRO 36 N -4.58 3.28 0.28 0.24 0.04 -1.26 -5.09 135.00 127.91 1byo s PRO 36 Ca 0.67 -0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.60 1byo s PRO 36 Cb -0.23 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.79 1byo s PRO 36 CO 0.56 -0.25 0.06 -1.01 0.04 0.00 0.00 177.00 176.40 1byo s HIS 37 N -2.65 1.73 0.34 0.56 3.76 -0.81 -4.88 115.29 113.33 1byo s HIS 37 Ca 0.47 -1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 54.28 1byo s HIS 37 Cb -0.10 -1.06 0.02 0.00 1.11 0.00 0.00 32.58 32.54 1byo s HIS 37 CO 0.41 -0.12 0.56 0.54 -0.85 0.00 0.00 174.74 175.28 1byo s ASN 38 N -3.39 0.48 -0.19 1.40 2.20 -1.26 -0.38 114.94 113.81 1byo s ASN 38 Ca 0.35 -1.29 -0.00 0.00 -0.94 0.00 0.00 52.86 50.98 1byo s ASN 38 Cb 0.08 0.70 0.05 0.00 -2.00 0.00 0.00 41.25 40.07 1byo s ASN 38 CO 0.13 -1.37 -0.06 -0.62 -2.94 0.00 0.00 177.10 172.24 1byo s ASP 39 N -3.15 3.13 -0.15 3.54 -1.08 -1.26 -4.07 116.67 113.63 1byo s ASP 39 Ca 0.25 -0.81 -0.01 0.00 -0.52 0.00 0.00 52.55 51.45 1byo s ASP 39 Cb -0.02 -1.00 0.04 0.00 -1.46 0.00 0.00 42.92 40.48 1byo s ASP 39 CO 0.16 -0.19 -0.02 -0.76 0.52 0.00 0.00 175.17 174.88 1byo s LEU 40 N 1.56 1.28 0.09 -1.34 2.01 -0.78 -0.40 118.68 121.09 1byo s LEU 40 Ca -0.01 -0.58 -0.23 0.00 0.01 0.00 0.00 54.13 53.32 1byo s LEU 40 Cb -0.16 -0.73 -0.07 0.00 0.01 0.00 0.00 46.19 45.24 1byo s LEU 40 CO -0.08 -0.22 0.70 -0.36 1.01 0.00 0.00 176.35 177.40 1byo s PHE 41 N 1.77 3.81 -0.22 0.29 0.40 -1.26 -0.80 117.98 121.96 1byo s PHE 41 Ca 0.01 1.45 -0.25 0.00 -0.60 0.00 0.00 56.93 57.53 1byo s PHE 41 Cb -0.15 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.68 1byo s PHE 41 CO -0.07 0.45 0.86 0.34 0.70 0.00 0.00 175.22 177.50 1byo s ASP 42 N -0.73 6.90 0.54 1.36 -1.08 -0.24 -4.95 116.67 118.48 1byo s ASP 42 Ca 0.34 1.12 0.24 0.00 -0.52 0.00 0.00 52.55 53.73 1byo s ASP 42 Cb -0.21 -2.46 1.40 0.00 -1.46 0.00 0.00 42.92 40.20 1byo s ASP 42 CO 0.22 -0.50 2.03 1.05 0.52 0.00 0.00 175.17 178.49 1byo h GLU 43 N 7.55 0.00 0.07 4.34 4.11 -1.95 -2.24 114.58 126.46 1byo h GLU 43 Ca -0.24 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.92 1byo h GLU 43 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1byo h GLU 43 CO 0.88 0.00 -1.30 -0.44 0.07 0.00 0.00 179.01 178.21 1byo h ASP 44 N 0.00 0.24 -2.23 3.06 3.32 -1.97 -3.39 116.42 115.45 1byo h ASP 44 Ca 0.19 -0.30 -0.73 0.00 0.02 0.00 0.00 57.03 56.21 1byo h ASP 44 Cb 0.78 -0.08 -0.32 0.00 0.22 0.00 0.00 39.33 39.93 1byo h ASP 44 CO -0.00 1.24 0.46 -0.62 -1.72 0.00 0.00 179.24 178.60 1byo n GLU 45 N -3.40 4.57 -4.14 3.56 1.02 -0.84 -4.97 120.64 116.44 1byo n GLU 45 Ca -0.09 -4.67 -0.09 0.00 -0.02 0.00 0.00 57.16 52.28 1byo n GLU 45 Cb 1.01 -2.38 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 1byo n GLU 45 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1byo s VAL 46 N -4.45 0.41 0.90 2.62 -7.23 -1.24 -1.28 120.40 110.13 1byo s VAL 46 Ca 0.43 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 1byo s VAL 46 Cb 0.24 -1.74 0.09 0.00 0.56 0.00 0.00 36.38 35.53 1byo s VAL 46 CO -0.15 -0.80 0.91 -2.65 -0.31 0.00 0.00 175.10 172.09 1byo n PRO 47 N -0.02 -0.25 -1.67 4.82 -0.02 -1.23 -4.89 135.00 131.74 1byo n PRO 47 Ca -0.11 -0.01 -0.46 0.00 -2.02 0.00 0.00 63.50 60.90 1byo n PRO 47 Cb 0.62 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1byo n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1byo n ALA 48 N -3.78 1.41 -0.83 3.55 0.00 -1.26 -2.30 120.51 117.31 1byo n ALA 48 Ca 0.11 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1byo n ALA 48 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1byo n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1byo n GLY 49 N 3.52 0.61 3.76 0.00 0.00 -1.26 -5.03 105.19 106.79 1byo n GLY 49 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1byo n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1byo s VAL 50 N -2.11 5.01 -0.52 1.61 1.01 -0.97 -5.04 120.40 119.39 1byo s VAL 50 Ca 0.00 1.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.93 1byo s VAL 50 Cb 0.00 -3.87 0.11 0.00 0.00 0.00 0.00 36.38 32.62 1byo s VAL 50 CO 0.00 0.41 0.48 -0.62 0.00 0.00 0.00 175.10 175.38 1byo s ASP 51 N -0.07 6.18 0.31 3.32 2.15 -1.26 -4.94 116.67 122.36 1byo s ASP 51 Ca 0.29 -1.61 0.02 0.00 0.43 0.00 0.00 52.55 51.68 1byo s ASP 51 Cb -0.17 -2.21 0.57 0.00 -0.30 0.00 0.00 42.92 40.81 1byo s ASP 51 CO 0.15 -0.81 1.92 -0.37 -0.17 0.00 0.00 175.17 175.88 1byo h VAL 52 N 5.85 1.05 -0.91 1.11 -1.51 -1.95 -1.77 116.25 118.12 1byo h VAL 52 Ca -0.29 -0.33 0.38 0.00 -1.23 0.00 0.00 66.70 65.22 1byo h VAL 52 Cb 1.10 -0.00 -0.16 0.00 -2.13 0.00 0.00 31.29 30.09 1byo h VAL 52 CO 0.99 0.18 0.47 0.41 -1.23 0.00 0.00 177.57 178.39 1byo n THR 53 N -4.49 -0.38 0.12 7.19 -1.04 -1.26 0.15 114.28 114.57 1byo n THR 53 Ca 0.13 1.86 0.01 0.00 -2.04 0.00 0.00 64.05 64.01 1byo n THR 53 Cb 0.21 -3.01 -0.00 0.00 -1.82 0.00 0.00 70.33 65.71 1byo n THR 53 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1byo h LYS 54 N 0.00 0.00 -0.00 -2.82 1.79 -1.74 -3.37 116.57 110.43 1byo h LYS 54 Ca 0.76 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.23 1byo h LYS 54 Cb 2.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1byo h LYS 54 CO -0.71 0.57 -0.30 0.44 -1.08 0.00 0.00 179.45 178.36 1byo n ILE 55 N -3.23 0.00 -3.75 1.86 -5.35 0.12 -5.03 119.36 103.98 1byo n ILE 55 Ca 0.01 -0.35 -0.21 0.00 -0.27 0.00 0.00 62.75 61.93 1byo n ILE 55 Cb 0.77 1.07 -0.02 0.00 -1.74 0.00 0.00 39.64 39.73 1byo n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1byo s SER 56 N -1.57 6.26 0.30 7.28 0.01 -0.24 -4.82 113.70 120.92 1byo s SER 56 Ca 0.06 0.13 -0.24 0.00 1.31 0.00 0.00 55.95 57.22 1byo s SER 56 Cb 0.08 -1.82 -0.09 0.00 0.21 0.00 0.00 66.02 64.39 1byo s SER 56 CO 0.30 -0.18 0.88 -0.04 0.41 0.00 0.00 173.24 174.61 1byo s MET 57 N -4.10 4.47 0.33 12.44 -1.94 0.46 -4.94 119.30 126.03 1byo s MET 57 Ca 0.37 1.18 -0.27 0.00 -1.71 0.00 0.00 55.69 55.26 1byo s MET 57 Cb -0.09 -2.80 -0.13 0.00 2.01 0.00 0.00 34.83 33.82 1byo s MET 57 CO 0.31 0.30 1.12 -2.30 -0.01 0.00 0.00 175.02 174.44 1byo n PRO 58 N 0.57 1.65 0.02 2.03 -0.02 -1.26 -4.69 135.00 133.30 1byo n PRO 58 Ca 0.01 0.58 0.20 0.00 -2.02 0.00 0.00 63.50 62.27 1byo n PRO 58 Cb 0.50 -2.06 0.71 0.00 -0.02 0.00 0.00 33.50 32.63 1byo n PRO 58 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1byo h GLU 59 N 2.12 0.00 0.00 -0.52 5.08 -1.95 -0.62 114.58 118.69 1byo h GLU 59 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1byo h GLU 59 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1byo h GLU 59 CO 0.61 0.00 -0.08 -0.85 -1.00 0.00 0.00 179.01 177.68 1byo n GLU 60 N -4.26 0.20 -2.83 2.33 0.00 -1.26 -4.81 120.64 110.01 1byo n GLU 60 Ca 0.09 0.15 -0.40 0.00 0.00 0.00 0.00 57.16 57.00 1byo n GLU 60 Cb 0.60 -1.72 -0.05 0.00 0.00 0.00 0.00 31.44 30.27 1byo n GLU 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1byo s ASP 61 N -4.14 7.45 0.08 -1.84 1.11 -0.24 -5.05 116.67 114.04 1byo s ASP 61 Ca 0.11 1.73 0.08 0.00 0.18 0.00 0.00 52.55 54.65 1byo s ASP 61 Cb 0.14 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 1byo s ASP 61 CO 0.60 0.04 -0.21 -0.76 1.18 0.00 0.00 175.17 176.02 1byo s LEU 62 N -0.43 2.25 -0.36 1.23 1.43 -1.26 -4.69 118.68 116.84 1byo s LEU 62 Ca 0.42 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 1byo s LEU 62 Cb -0.23 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1byo s LEU 62 CO 0.28 0.10 0.24 -0.76 0.23 0.00 0.00 176.35 176.44 1byo s LEU 63 N -1.62 4.68 -0.01 1.79 1.43 0.49 -4.95 118.68 120.50 1byo s LEU 63 Ca 0.07 -0.66 0.15 0.00 -1.03 0.00 0.00 54.13 52.66 1byo s LEU 63 Cb -0.09 -2.11 -0.20 0.00 0.03 0.00 0.00 46.19 43.81 1byo s LEU 63 CO 0.03 -0.32 0.52 0.59 0.23 0.00 0.00 176.35 177.41 1byo n ASN 64 N 5.09 1.00 -4.17 2.29 3.02 -1.26 -1.93 115.26 119.31 1byo n ASN 64 Ca -0.12 -0.50 -0.12 0.00 -0.03 0.00 0.00 54.58 53.81 1byo n ASN 64 Cb 0.48 1.30 -0.10 0.00 -0.61 0.00 0.00 39.78 40.85 1byo n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1byo s ALA 65 N -2.71 1.01 0.68 5.41 0.00 -1.26 -4.85 121.76 120.04 1byo s ALA 65 Ca 0.01 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1byo s ALA 65 Cb 0.11 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1byo s ALA 65 CO 0.64 -0.17 1.19 -1.25 0.00 0.00 0.00 175.76 176.16 1byo s PRO 66 N -3.49 2.50 0.00 0.00 0.04 -1.26 -2.64 135.00 130.15 1byo s PRO 66 Ca 0.10 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1byo s PRO 66 Cb 0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1byo s PRO 66 CO -0.03 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1byo n GLY 67 N 0.25 2.86 3.74 0.56 0.00 -1.26 -5.02 105.19 106.32 1byo n GLY 67 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1byo n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1byo s GLU 68 N -0.07 4.59 0.24 1.61 2.02 -1.08 -4.94 118.70 121.08 1byo s GLU 68 Ca 0.00 1.75 -0.10 0.00 0.02 0.00 0.00 54.97 56.64 1byo s GLU 68 Cb 0.00 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 1byo s GLU 68 CO 0.00 0.08 0.41 -1.83 0.02 0.00 0.00 175.26 173.94 1byo s GLU 69 N -0.55 1.49 -0.06 1.61 -1.05 -1.26 -1.73 118.70 117.16 1byo s GLU 69 Ca 0.49 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 1byo s GLU 69 Cb -0.30 0.43 0.02 0.00 -0.44 0.00 0.00 34.13 33.84 1byo s GLU 69 CO 0.36 -0.60 -0.03 -0.47 0.95 0.00 0.00 175.26 175.47 1byo s TYR 70 N -4.01 0.77 -0.03 4.83 5.04 -0.42 -4.98 117.35 118.54 1byo s TYR 70 Ca 0.26 -0.23 0.07 0.00 -2.44 0.00 0.00 57.07 54.73 1byo s TYR 70 Cb 0.01 -0.74 -0.02 0.00 0.35 0.00 0.00 41.96 41.55 1byo s TYR 70 CO 0.10 -0.26 -0.23 -1.12 -1.34 0.00 0.00 175.55 172.71 1byo s SER 71 N 1.31 3.33 0.01 4.32 0.01 -1.26 0.05 113.70 121.46 1byo s SER 71 Ca -0.05 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1byo s SER 71 Cb -0.14 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1byo s SER 71 CO -0.02 0.33 0.04 0.68 0.41 0.00 0.00 173.24 174.67 1byo s VAL 72 N -0.64 0.08 -0.22 3.43 -7.23 -0.76 -5.00 120.40 110.07 1byo s VAL 72 Ca 0.10 -0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.54 1byo s VAL 72 Cb -0.10 -0.29 -0.00 0.00 0.56 0.00 0.00 36.38 36.55 1byo s VAL 72 CO -0.01 -0.38 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.44 1byo s THR 73 N -1.21 3.15 -0.12 5.32 2.01 -1.26 -1.17 115.64 122.36 1byo s THR 73 Ca -0.13 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 1byo s THR 73 Cb -0.08 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1byo s THR 73 CO -0.00 0.43 0.17 -0.76 -0.69 0.00 0.00 174.62 173.76 1byo s LEU 74 N 1.44 4.37 0.00 4.42 1.43 -1.22 -4.99 118.68 124.13 1byo s LEU 74 Ca 0.05 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1byo s LEU 74 Cb -0.14 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1byo s LEU 74 CO -0.05 0.36 0.00 0.35 0.23 0.00 0.00 176.35 177.24 1byo n THR 75 N 2.22 0.00 -2.11 5.49 -2.24 -1.26 -0.14 114.28 116.24 1byo n THR 75 Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1byo n THR 75 Cb 0.54 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1byo n THR 75 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1byo s GLU 76 N -1.93 4.22 0.60 -0.78 2.12 -1.26 -4.50 118.70 117.17 1byo s GLU 76 Ca 0.00 2.07 -0.17 0.00 0.36 0.00 0.00 54.97 57.24 1byo s GLU 76 Cb 0.00 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 1byo s GLU 76 CO 0.00 -0.73 1.10 0.15 -0.54 0.00 0.00 175.26 175.24 1byo s LYS 77 N 3.28 3.14 0.00 4.30 1.02 -1.26 -4.80 119.74 125.42 1byo s LYS 77 Ca 0.68 1.40 0.00 0.00 0.02 0.00 0.00 55.97 58.07 1byo s LYS 77 Cb -0.32 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1byo s LYS 77 CO 0.27 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 1byo n GLY 78 N -0.45 0.74 3.45 -3.33 0.00 -0.22 -4.88 105.19 100.50 1byo n GLY 78 Ca 0.10 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1byo n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1byo s THR 79 N -1.47 3.43 0.00 2.61 -4.23 -1.26 -0.00 115.64 114.72 1byo s THR 79 Ca 0.00 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.04 1byo s THR 79 Cb 0.00 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 1byo s THR 79 CO 0.00 0.52 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.10 1byo s TYR 80 N 0.16 1.72 -0.10 3.99 1.51 -0.27 -3.58 117.35 120.78 1byo s TYR 80 Ca -0.05 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1byo s TYR 80 Cb -0.14 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1byo s TYR 80 CO 0.04 0.01 -0.13 0.21 -1.11 0.00 0.00 175.55 174.57 1byo s LYS 81 N -0.68 3.07 0.21 -0.62 2.20 -0.40 -0.75 119.74 122.78 1byo s LYS 81 Ca 0.07 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1byo s LYS 81 Cb -0.08 -2.56 -0.05 0.00 -1.51 0.00 0.00 37.83 33.63 1byo s LYS 81 CO 0.00 0.38 0.00 -0.59 -0.36 0.00 0.00 175.35 174.78 1byo s PHE 82 N -0.08 1.46 0.13 4.03 -0.12 -0.68 -1.08 117.98 121.65 1byo s PHE 82 Ca -0.02 -0.96 -0.16 0.00 -0.05 0.00 0.00 56.93 55.74 1byo s PHE 82 Cb -0.14 -0.84 0.04 0.00 -0.63 0.00 0.00 43.02 41.45 1byo s PHE 82 CO 0.04 -0.10 0.42 1.52 -0.05 0.00 0.00 175.22 177.04 1byo s TYR 83 N -3.50 -0.21 -0.32 3.49 -0.85 0.02 -0.35 117.35 115.63 1byo s TYR 83 Ca 0.28 -0.10 -0.14 0.00 -0.52 0.00 0.00 57.07 56.59 1byo s TYR 83 Cb 0.06 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 1byo s TYR 83 CO 0.08 -0.72 0.31 0.00 -1.52 0.00 0.00 175.55 173.70 1byo h ALA 85 N 8.39 -0.62 0.00 0.00 0.00 -1.89 0.17 119.26 125.32 1byo h ALA 85 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1byo h ALA 85 Cb 1.16 0.96 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1byo h ALA 85 CO 0.65 -0.78 0.00 -1.00 0.00 0.00 0.00 179.25 178.11 1byo h PRO 86 N -0.27 0.00 -0.06 0.00 0.13 -1.93 -3.10 132.00 126.77 1byo h PRO 86 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1byo h PRO 86 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1byo h PRO 86 CO -0.36 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.13 1byo n HIS 87 N -2.61 0.08 -0.23 1.56 8.25 -0.75 -4.74 115.22 116.78 1byo n HIS 87 Ca -0.01 -0.23 0.01 0.00 -0.26 0.00 0.00 57.72 57.23 1byo n HIS 87 Cb 0.10 -0.02 0.13 0.00 1.12 0.00 0.00 29.99 31.32 1byo n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1byo h ALA 88 N 0.79 0.90 0.00 -1.41 0.00 -0.61 0.05 119.26 118.98 1byo h ALA 88 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1byo h ALA 88 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1byo h ALA 88 CO 0.00 -0.12 -0.08 0.78 0.00 0.00 0.00 179.25 179.83 1byo h GLY 89 N 0.50 0.00 -0.37 0.00 0.00 -1.85 0.12 103.07 101.47 1byo h GLY 89 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1byo h GLY 89 CO -0.29 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.25 1byo n ALA 90 N -2.35 2.56 -0.54 3.60 0.00 -0.04 -4.92 120.51 118.82 1byo n ALA 90 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1byo n ALA 90 Cb 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1byo n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1byo n GLY 91 N 1.05 0.73 3.21 0.00 0.00 0.40 -4.94 105.19 105.65 1byo n GLY 91 Ca 0.16 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1byo n GLY 91 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1byo n MET 92 N -2.38 3.36 -4.41 1.61 0.00 -0.93 -4.90 117.12 109.48 1byo n MET 92 Ca 0.00 -3.52 -0.25 0.00 0.00 0.00 0.00 57.70 53.94 1byo n MET 92 Cb 0.02 -3.11 -0.13 0.00 0.00 0.00 0.00 33.22 30.00 1byo n MET 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1byo s VAL 93 N 1.80 1.72 0.28 1.12 1.01 -1.26 -1.09 120.40 123.98 1byo s VAL 93 Ca 0.44 -1.44 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1byo s VAL 93 Cb 0.04 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1byo s VAL 93 CO 0.01 0.03 0.38 -0.83 0.00 0.00 0.00 175.10 174.69 1byo s GLY 94 N -1.68 1.24 -0.10 4.51 0.00 0.53 -4.71 107.32 107.11 1byo s GLY 94 Ca 0.07 -1.40 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 1byo s GLY 94 CO 0.03 -1.01 0.30 1.25 0.00 0.00 0.00 173.10 173.68 1byo s LYS 95 N -3.63 0.41 0.00 2.90 2.20 -0.46 -1.69 119.74 119.46 1byo s LYS 95 Ca 0.31 0.31 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 1byo s LYS 95 Cb 0.01 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1byo s LYS 95 CO 0.15 -0.06 -0.11 0.54 -0.36 0.00 0.00 175.35 175.51 1byo s VAL 96 N -0.10 0.89 -0.21 4.02 0.11 0.08 -1.87 120.40 123.32 1byo s VAL 96 Ca -0.02 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1byo s VAL 96 Cb -0.03 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1byo s VAL 96 CO 0.01 0.17 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.94 1byo s THR 97 N -0.42 2.56 -0.27 5.04 2.01 -0.48 -1.12 115.64 122.97 1byo s THR 97 Ca 0.03 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1byo s THR 97 Cb -0.05 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1byo s THR 97 CO -0.00 0.37 0.21 -0.69 -0.69 0.00 0.00 174.62 173.83 1byo s VAL 98 N 1.32 5.30 -2.39 3.82 1.01 1.00 -0.86 120.40 129.60 1byo s VAL 98 Ca 0.03 0.24 0.19 0.00 0.00 0.00 0.00 61.98 62.43 1byo s VAL 98 Cb -0.15 -3.55 0.15 0.00 0.00 0.00 0.00 36.38 32.83 1byo s VAL 98 CO -0.08 0.26 1.11 0.59 0.00 0.00 0.00 175.10 176.98