#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2git n ILE 1 N 0.00 0.03 -3.82 2.02 5.41 -1.26 -5.00 119.36 116.73 2git n ILE 1 Ca 0.00 -0.01 -0.26 0.00 1.00 0.00 0.00 62.75 63.49 2git n ILE 1 Cb 0.00 -1.67 -0.17 0.00 -0.71 0.00 0.00 39.64 37.09 2git n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2git s GLN 2 N 1.13 1.02 -0.08 0.38 -0.21 -1.26 -4.40 119.66 116.24 2git s GLN 2 Ca 0.78 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.98 2git s GLN 2 Cb -0.63 -1.55 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 2git s GLN 2 CO 0.37 -0.38 -0.17 1.03 -2.12 0.00 0.00 175.29 174.02 2git s ARG 3 N 1.81 2.80 0.11 2.91 0.52 0.49 -4.92 118.95 122.68 2git s ARG 3 Ca 0.03 -0.75 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 2git s ARG 3 Cb -0.14 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.87 2git s ARG 3 CO -0.07 0.43 1.11 0.99 0.02 0.00 0.00 175.30 177.78 2git s THR 4 N -0.24 4.09 0.30 0.02 2.01 -1.26 -1.74 115.64 118.83 2git s THR 4 Ca 0.00 1.65 -0.29 0.00 0.31 0.00 0.00 61.69 63.36 2git s THR 4 Cb -0.13 -4.05 -0.11 0.00 0.01 0.00 0.00 72.50 68.22 2git s THR 4 CO 0.03 0.21 1.49 -2.16 -0.69 0.00 0.00 174.62 173.50 2git s PRO 5 N 0.31 4.19 0.17 4.92 0.04 -1.26 -4.33 135.00 139.05 2git s PRO 5 Ca 0.53 2.45 -0.15 0.00 0.04 0.00 0.00 61.00 63.87 2git s PRO 5 Cb -0.28 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 2git s PRO 5 CO 0.32 -0.49 0.59 0.15 0.04 0.00 0.00 177.00 177.61 2git s LYS 6 N -1.01 4.02 -0.07 4.56 1.02 0.17 -4.90 119.74 123.54 2git s LYS 6 Ca 0.58 0.56 0.01 0.00 0.02 0.00 0.00 55.97 57.14 2git s LYS 6 Cb -0.45 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2git s LYS 6 CO 0.51 0.44 -0.07 0.42 -0.92 0.00 0.00 175.35 175.72 2git s ILE 7 N -1.52 0.83 -0.09 2.17 1.01 -1.26 -1.60 121.20 120.75 2git s ILE 7 Ca 0.40 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2git s ILE 7 Cb -0.15 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2git s ILE 7 CO 0.20 0.30 -0.18 -1.10 0.00 0.00 0.00 174.94 174.16 2git s GLN 8 N 1.08 2.41 -0.16 2.79 -0.21 -0.51 -5.00 119.66 120.06 2git s GLN 8 Ca -0.08 -0.65 -0.00 0.00 0.02 0.00 0.00 55.36 54.64 2git s GLN 8 Cb -0.14 -1.89 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 2git s GLN 8 CO -0.01 0.09 -0.13 0.54 -2.12 0.00 0.00 175.29 173.66 2git s VAL 9 N 0.54 2.85 0.08 1.09 0.11 -1.26 -0.83 120.40 122.97 2git s VAL 9 Ca -0.16 -0.71 -0.26 0.00 -2.93 0.00 0.00 61.98 57.92 2git s VAL 9 Cb -0.17 -2.21 0.08 0.00 -1.53 0.00 0.00 36.38 32.55 2git s VAL 9 CO 0.06 0.51 0.86 -0.72 -3.33 0.00 0.00 175.10 172.47 2git s TYR 10 N 0.77 -0.30 0.13 1.54 1.13 -0.46 -4.62 117.35 115.53 2git s TYR 10 Ca -0.05 0.09 -0.04 0.00 -1.41 0.00 0.00 57.07 55.65 2git s TYR 10 Cb -0.15 0.58 -0.05 0.00 -1.10 0.00 0.00 41.96 41.23 2git s TYR 10 CO 0.01 -0.71 0.36 -1.54 -2.51 0.00 0.00 175.55 171.16 2git s SER 11 N -2.68 6.48 0.12 -0.18 1.04 -1.26 0.21 113.70 117.44 2git s SER 11 Ca 0.07 0.56 -0.20 0.00 0.48 0.00 0.00 55.95 56.86 2git s SER 11 Cb -0.01 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 2git s SER 11 CO -0.06 0.07 1.73 -0.09 0.98 0.00 0.00 173.24 175.87 2git h ARG 12 N 2.89 0.06 -6.27 4.02 2.43 -1.41 -3.44 114.38 112.66 2git h ARG 12 Ca -0.46 -0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.13 2git h ARG 12 Cb 1.17 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.60 2git h ARG 12 CO 0.73 0.04 -0.65 -1.01 -1.51 0.00 0.00 179.97 177.57 2git s HIS 13 N -6.19 2.78 0.26 2.20 3.76 -1.26 -5.04 115.29 111.80 2git s HIS 13 Ca -0.13 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.29 2git s HIS 13 Cb 0.09 -1.28 -0.14 0.00 1.11 0.00 0.00 32.58 32.36 2git s HIS 13 CO 0.68 0.57 1.29 -2.30 -0.85 0.00 0.00 174.74 174.13 2git n PRO 14 N -0.56 1.84 -2.25 8.40 -0.02 -1.26 -4.86 135.00 136.29 2git n PRO 14 Ca -0.08 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2git n PRO 14 Cb 0.57 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2git n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2git s ALA 15 N -0.44 3.53 -0.07 3.55 0.00 -1.26 -5.00 121.76 122.06 2git s ALA 15 Ca 0.65 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.64 2git s ALA 15 Cb -0.67 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 18.98 2git s ALA 15 CO 0.54 -0.55 -0.00 -1.21 0.00 0.00 0.00 175.76 174.54 2git s GLU 16 N 0.97 0.65 0.31 0.00 2.02 -1.26 -5.11 118.70 116.28 2git s GLU 16 Ca 0.62 0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.40 2git s GLU 16 Cb -0.35 -0.99 -0.12 0.00 0.10 0.00 0.00 34.13 32.78 2git s GLU 16 CO 0.31 -0.29 1.55 0.09 0.02 0.00 0.00 175.26 176.94 2git n ASN 17 N 5.09 3.72 0.00 -0.19 3.02 -1.26 -1.39 115.26 124.25 2git n ASN 17 Ca -0.08 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2git n ASN 17 Cb 0.50 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.09 2git n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2git n GLY 18 N 1.82 0.99 3.43 7.41 0.00 0.27 -5.00 105.19 114.11 2git n GLY 18 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2git n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2git s LYS 19 N -0.05 3.34 0.57 1.61 1.02 -0.49 -4.99 119.74 120.75 2git s LYS 19 Ca 0.00 -0.64 -0.21 0.00 0.02 0.00 0.00 55.97 55.15 2git s LYS 19 Cb 0.00 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 2git s LYS 19 CO 0.00 0.29 1.32 -1.54 -0.92 0.00 0.00 175.35 174.50 2git s SER 20 N 0.17 5.18 0.13 2.83 1.04 -1.26 -4.18 113.70 117.60 2git s SER 20 Ca -0.06 2.67 -0.04 0.00 0.48 0.00 0.00 55.95 59.00 2git s SER 20 Cb -0.15 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.36 2git s SER 20 CO 0.04 -1.62 0.24 -3.20 0.98 0.00 0.00 173.24 169.68 2git n ASN 21 N -1.23 -0.71 -4.10 7.02 2.85 0.19 -4.98 115.26 114.29 2git n ASN 21 Ca 0.12 -1.52 -0.24 0.00 -0.11 0.00 0.00 54.58 52.83 2git n ASN 21 Cb 0.46 1.19 -0.16 0.00 1.24 0.00 0.00 39.78 42.51 2git n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2git s PHE 22 N -6.55 1.40 -0.22 1.20 0.40 -1.26 -1.28 117.98 111.66 2git s PHE 22 Ca 0.06 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 55.96 2git s PHE 22 Cb -0.01 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 2git s PHE 22 CO 0.04 -0.09 0.12 -1.17 0.70 0.00 0.00 175.22 174.82 2git s LEU 23 N -0.10 3.92 -0.02 -0.37 2.96 0.85 -0.90 118.68 125.03 2git s LEU 23 Ca 0.01 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 2git s LEU 23 Cb -0.08 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2git s LEU 23 CO 0.01 0.08 -0.13 0.20 -1.32 0.00 0.00 176.35 175.19 2git s ASN 24 N 0.93 4.16 -0.19 3.68 0.01 0.13 -1.22 114.94 122.44 2git s ASN 24 Ca 0.06 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2git s ASN 24 Cb -0.13 -0.87 0.05 0.00 0.41 0.00 0.00 41.25 40.70 2git s ASN 24 CO 0.03 0.31 -0.07 0.00 -1.51 0.00 0.00 177.10 175.87 2git s TYR 26 N 1.52 3.12 -0.13 0.00 5.04 -0.01 -1.06 117.35 125.83 2git s TYR 26 Ca -0.01 -0.29 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 2git s TYR 26 Cb -0.16 -2.22 -0.02 0.00 0.35 0.00 0.00 41.96 39.91 2git s TYR 26 CO -0.08 -0.25 -0.12 0.14 -1.34 0.00 0.00 175.55 173.90 2git s VAL 27 N 1.40 3.11 0.22 3.14 -7.23 -0.26 -1.42 120.40 119.36 2git s VAL 27 Ca 0.05 -0.64 -0.09 0.00 -1.81 0.00 0.00 61.98 59.49 2git s VAL 27 Cb -0.15 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 2git s VAL 27 CO 0.04 0.53 0.37 -0.94 -0.31 0.00 0.00 175.10 174.78 2git s SER 28 N 0.29 -0.02 0.00 4.85 1.04 -0.63 -1.22 113.70 118.02 2git s SER 28 Ca -0.10 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2git s SER 28 Cb -0.16 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2git s SER 28 CO 0.05 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2git n GLY 29 N -0.33 0.54 3.78 7.32 0.00 -0.37 0.41 105.19 116.54 2git n GLY 29 Ca -0.01 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 2git n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2git s PHE 30 N -2.00 3.04 -0.26 1.61 -0.71 -1.15 -4.26 117.98 114.25 2git s PHE 30 Ca 0.00 -0.11 -0.21 0.00 -1.04 0.00 0.00 56.93 55.57 2git s PHE 30 Cb 0.00 -1.39 0.07 0.00 -1.21 0.00 0.00 43.02 40.49 2git s PHE 30 CO 0.00 0.54 0.68 -1.58 -1.34 0.00 0.00 175.22 173.52 2git s HIS 31 N -2.05 -0.85 1.11 3.49 2.46 -0.71 -0.81 115.29 117.93 2git s HIS 31 Ca 0.32 1.92 -0.18 0.00 0.47 0.00 0.00 55.06 57.59 2git s HIS 31 Cb -0.08 0.37 0.26 0.00 -0.13 0.00 0.00 32.58 33.00 2git s HIS 31 CO 0.23 -0.41 1.21 -1.25 -2.47 0.00 0.00 174.74 172.05 2git s PRO 32 N 0.78 -0.54 0.20 2.88 0.04 -1.26 -0.38 135.00 136.72 2git s PRO 32 Ca -0.03 -0.28 0.26 0.00 0.04 0.00 0.00 61.00 60.99 2git s PRO 32 Cb -0.05 -1.70 0.86 0.00 0.04 0.00 0.00 34.50 33.65 2git s PRO 32 CO -0.06 -3.22 1.78 -1.13 0.04 0.00 0.00 177.00 174.41 2git n SER 33 N -4.37 0.74 -4.65 6.66 3.41 -1.26 -4.76 113.62 109.39 2git n SER 33 Ca 0.15 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.92 2git n SER 33 Cb 0.59 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 2git n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2git s ASP 34 N -4.39 6.51 0.03 4.04 1.11 -1.26 -4.97 116.67 117.75 2git s ASP 34 Ca 0.10 2.17 -0.17 0.00 0.18 0.00 0.00 52.55 54.83 2git s ASP 34 Cb 0.12 -2.53 0.03 0.00 1.07 0.00 0.00 42.92 41.61 2git s ASP 34 CO 0.56 -1.06 0.37 -0.51 1.18 0.00 0.00 175.17 175.71 2git s ILE 35 N 4.56 0.06 -0.16 0.77 2.07 -1.26 -4.67 121.20 122.58 2git s ILE 35 Ca 0.77 -0.51 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 2git s ILE 35 Cb -0.33 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.40 2git s ILE 35 CO 0.32 -0.28 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.17 2git s GLU 36 N -2.20 2.86 -0.07 3.50 2.12 -0.48 -5.00 118.70 119.43 2git s GLU 36 Ca -0.07 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.49 2git s GLU 36 Cb -0.02 -2.42 0.02 0.00 0.26 0.00 0.00 34.13 31.97 2git s GLU 36 CO -0.01 -0.14 -0.10 0.08 -0.54 0.00 0.00 175.26 174.55 2git s VAL 37 N 1.14 1.03 0.04 3.70 1.01 -1.26 -0.68 120.40 125.37 2git s VAL 37 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2git s VAL 37 Cb -0.14 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2git s VAL 37 CO -0.08 0.34 -0.15 -1.81 0.00 0.00 0.00 175.10 173.40 2git s ASP 38 N 0.94 1.81 -0.14 3.32 1.01 -0.08 -4.99 116.67 118.54 2git s ASP 38 Ca -0.10 -0.46 -0.07 0.00 0.71 0.00 0.00 52.55 52.64 2git s ASP 38 Cb -0.15 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.61 2git s ASP 38 CO 0.00 0.06 0.10 -0.76 0.21 0.00 0.00 175.17 174.79 2git s LEU 39 N -1.11 4.13 -0.03 1.23 1.43 -1.26 -0.71 118.68 122.35 2git s LEU 39 Ca 0.03 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 2git s LEU 39 Cb -0.08 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2git s LEU 39 CO 0.01 0.32 -0.19 -0.76 0.23 0.00 0.00 176.35 175.96 2git s LEU 40 N -0.50 2.47 -0.21 1.79 1.43 0.12 -0.82 118.68 122.96 2git s LEU 40 Ca 0.11 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2git s LEU 40 Cb -0.12 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.66 2git s LEU 40 CO 0.02 0.33 -0.15 -0.75 0.23 0.00 0.00 176.35 176.02 2git s LYS 41 N -0.76 2.83 -1.60 1.70 2.20 0.42 -1.82 119.74 122.69 2git s LYS 41 Ca 0.11 -0.95 -0.17 0.00 -0.36 0.00 0.00 55.97 54.60 2git s LYS 41 Cb -0.10 -2.72 0.15 0.00 -1.51 0.00 0.00 37.83 33.65 2git s LYS 41 CO 0.00 -0.31 0.71 0.09 -0.36 0.00 0.00 175.35 175.49 2git n ASN 42 N 4.59 -3.26 0.00 1.43 3.02 0.10 -1.20 115.26 119.95 2git n ASN 42 Ca -0.19 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2git n ASN 42 Cb 0.48 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 2git n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2git n GLY 43 N -1.30 0.91 3.57 7.41 0.00 -1.26 -5.04 105.19 109.48 2git n GLY 43 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2git n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2git s GLU 44 N -0.31 3.87 0.15 1.61 2.12 -0.34 -5.03 118.70 120.76 2git s GLU 44 Ca 0.00 -0.39 -0.32 0.00 0.36 0.00 0.00 54.97 54.62 2git s GLU 44 Cb 0.00 -3.23 -0.12 0.00 0.26 0.00 0.00 34.13 31.04 2git s GLU 44 CO 0.00 0.13 1.77 -2.13 -0.54 0.00 0.00 175.26 174.49 2git n ARG 45 N 3.95 2.68 -2.76 4.30 0.63 -1.26 -0.44 116.66 123.76 2git n ARG 45 Ca -0.16 0.97 -0.41 0.00 -0.92 0.00 0.00 57.85 57.32 2git n ARG 45 Cb 0.52 -2.83 -0.04 0.00 0.45 0.00 0.00 32.46 30.56 2git n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2git s ILE 46 N 2.01 4.78 0.11 5.15 1.01 0.00 -4.89 121.20 129.37 2git s ILE 46 Ca 0.80 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 63.38 2git s ILE 46 Cb -0.53 -4.28 -0.22 0.00 0.01 0.00 0.00 42.46 37.44 2git s ILE 46 CO 0.36 0.22 1.25 -0.33 0.00 0.00 0.00 174.94 176.44 2git h GLU 47 N 6.41 0.38 -3.51 2.79 5.08 -1.92 -3.40 114.58 120.40 2git h GLU 47 Ca -0.42 -0.47 -0.79 0.00 -1.00 0.00 0.00 59.36 56.69 2git h GLU 47 Cb 1.21 0.15 -0.25 0.00 0.50 0.00 0.00 28.75 30.36 2git h GLU 47 CO 0.74 1.15 0.89 1.63 -1.00 0.00 0.00 179.01 182.42 2git n LYS 48 N -3.69 3.85 -4.72 2.33 5.02 -1.26 -4.92 118.16 114.76 2git n LYS 48 Ca -0.07 -4.29 -0.33 0.00 -2.02 0.00 0.00 58.31 51.60 2git n LYS 48 Cb 0.89 -2.65 -0.16 0.00 -0.02 0.00 0.00 35.03 33.09 2git n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2git s VAL 49 N -1.19 2.36 0.31 -0.18 1.01 -1.26 -4.64 120.40 116.82 2git s VAL 49 Ca 0.34 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2git s VAL 49 Cb -0.02 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2git s VAL 49 CO 0.01 0.54 0.22 -1.61 0.00 0.00 0.00 175.10 174.25 2git s GLU 50 N 0.70 2.66 0.07 2.72 2.02 -0.35 -4.90 118.70 121.62 2git s GLU 50 Ca -0.09 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.60 2git s GLU 50 Cb -0.16 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2git s GLU 50 CO 0.01 0.19 -0.04 -3.38 0.02 0.00 0.00 175.26 172.06 2git s HIS 51 N -2.29 0.67 0.94 1.61 -3.43 -1.26 -0.50 115.29 111.01 2git s HIS 51 Ca 0.38 -1.01 -0.12 0.00 -0.80 0.00 0.00 55.06 53.51 2git s HIS 51 Cb -0.06 -0.44 0.15 0.00 -1.43 0.00 0.00 32.58 30.81 2git s HIS 51 CO 0.25 -0.29 1.09 -1.54 -2.00 0.00 0.00 174.74 172.24 2git s SER 52 N -2.97 3.10 0.30 7.38 1.04 0.09 -4.98 113.70 117.66 2git s SER 52 Ca 0.09 1.49 -0.28 0.00 0.48 0.00 0.00 55.95 57.73 2git s SER 52 Cb 0.07 -2.16 -0.09 0.00 0.10 0.00 0.00 66.02 63.93 2git s SER 52 CO -0.08 -2.88 1.04 -1.81 0.98 0.00 0.00 173.24 170.50 2git s ASP 53 N -3.30 7.24 0.12 7.02 1.01 -1.26 -4.75 116.67 122.76 2git s ASP 53 Ca 0.64 2.12 -0.33 0.00 0.71 0.00 0.00 52.55 55.69 2git s ASP 53 Cb -0.19 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.00 2git s ASP 53 CO 0.58 -0.15 1.71 -0.11 0.21 0.00 0.00 175.17 177.40 2git n LEU 54 N 0.93 3.51 -4.25 1.23 7.94 -1.26 -4.94 117.00 120.15 2git n LEU 54 Ca 0.00 1.04 -0.18 0.00 -1.11 0.00 0.00 56.01 55.77 2git n LEU 54 Cb 0.47 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.86 2git n LEU 54 CO 0.50 -0.07 -0.12 -0.55 -1.11 0.00 0.00 177.39 176.05 2git s SER 55 N 1.82 1.34 0.21 1.96 0.15 -1.22 -5.05 113.70 112.91 2git s SER 55 Ca 0.81 -1.67 -0.11 0.00 0.70 0.00 0.00 55.95 55.68 2git s SER 55 Cb -0.61 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 2git s SER 55 CO 0.39 -1.04 0.38 0.72 1.20 0.00 0.00 173.24 174.89 2git s PHE 56 N -3.56 0.43 0.67 3.44 -0.12 -1.26 -1.75 117.98 115.83 2git s PHE 56 Ca 0.40 -0.78 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 2git s PHE 56 Cb 0.03 0.04 0.13 0.00 -0.63 0.00 0.00 43.02 42.59 2git s PHE 56 CO 0.24 -0.86 0.92 0.43 -0.05 0.00 0.00 175.22 175.89 2git n SER 57 N -0.32 1.62 -0.18 1.98 7.64 -0.31 -4.94 113.62 119.12 2git n SER 57 Ca -0.03 -2.28 0.08 0.00 1.01 0.00 0.00 58.87 57.65 2git n SER 57 Cb 0.63 -0.56 0.38 0.00 -1.01 0.00 0.00 64.21 63.65 2git n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2git h LYS 58 N 0.00 0.67 -0.22 1.43 3.64 -2.02 -0.77 116.57 119.28 2git h LYS 58 Ca -0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2git h LYS 58 Cb 1.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2git h LYS 58 CO 0.36 0.44 0.00 -0.40 -2.27 0.00 0.00 179.45 177.58 2git n ASP 59 N -4.49 0.88 0.00 4.20 5.68 -1.26 -4.88 116.55 116.68 2git n ASP 59 Ca 0.11 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 2git n ASP 59 Cb 0.29 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2git n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2git n TRP 60 N -0.06 0.00 -2.40 2.11 7.02 -0.30 -5.03 117.44 118.79 2git n TRP 60 Ca 0.05 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.14 2git n TRP 60 Cb 0.15 -0.18 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 2git n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2git s SER 61 N -3.22 6.80 0.49 -0.99 1.04 -1.26 -4.60 113.70 111.96 2git s SER 61 Ca 0.00 2.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 2git s SER 61 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 2git s SER 61 CO 0.00 -0.48 0.80 -0.36 0.98 0.00 0.00 173.24 174.19 2git s PHE 62 N -1.39 3.57 0.01 5.02 0.08 0.01 -1.16 117.98 124.11 2git s PHE 62 Ca 0.53 0.86 -0.04 0.00 0.12 0.00 0.00 56.93 58.40 2git s PHE 62 Cb -0.29 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 39.81 2git s PHE 62 CO 0.37 -0.30 0.06 1.52 -0.10 0.00 0.00 175.22 176.77 2git s TYR 63 N -2.76 0.14 -0.04 0.36 -0.85 -0.72 -1.24 117.35 112.24 2git s TYR 63 Ca 0.48 -0.32 -0.09 0.00 -0.52 0.00 0.00 57.07 56.62 2git s TYR 63 Cb -0.10 -0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.14 2git s TYR 63 CO 0.45 -0.25 0.22 -0.51 -1.52 0.00 0.00 175.55 173.94 2git s LEU 64 N -1.45 1.20 -0.19 -3.49 1.43 -0.36 -3.46 118.68 112.36 2git s LEU 64 Ca -0.15 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2git s LEU 64 Cb -0.08 0.87 -0.00 0.00 0.03 0.00 0.00 46.19 47.00 2git s LEU 64 CO 0.00 -0.26 -0.10 -0.22 0.23 0.00 0.00 176.35 176.00 2git s LEU 65 N -0.72 2.68 -0.10 1.79 2.96 -1.26 -1.10 118.68 122.92 2git s LEU 65 Ca -0.08 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 2git s LEU 65 Cb -0.05 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2git s LEU 65 CO 0.02 0.02 0.08 -0.31 -1.32 0.00 0.00 176.35 174.84 2git s TYR 66 N 1.20 3.40 0.00 5.38 1.51 -0.22 -0.73 117.35 127.88 2git s TYR 66 Ca 0.02 0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 56.24 2git s TYR 66 Cb -0.14 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 2git s TYR 66 CO -0.04 0.62 0.47 1.52 -1.11 0.00 0.00 175.55 177.01 2git s TYR 67 N -0.97 -0.37 -0.02 2.71 1.13 0.34 0.02 117.35 120.19 2git s TYR 67 Ca 0.14 0.52 -0.14 0.00 -1.41 0.00 0.00 57.07 56.18 2git s TYR 67 Cb -0.12 0.25 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 2git s TYR 67 CO 0.03 -0.54 0.31 -0.08 -2.51 0.00 0.00 175.55 172.76 2git s THR 68 N -1.76 0.05 0.27 -3.49 -1.32 -0.36 -1.21 115.64 107.83 2git s THR 68 Ca -0.09 -0.43 -0.29 0.00 -1.21 0.00 0.00 61.69 59.66 2git s THR 68 Cb -0.02 -0.59 -0.10 0.00 -1.51 0.00 0.00 72.50 70.28 2git s THR 68 CO 0.03 -0.24 1.31 -1.61 -2.21 0.00 0.00 174.62 171.90 2git s GLU 69 N -1.17 4.38 0.06 7.08 2.02 -1.26 -0.11 118.70 129.70 2git s GLU 69 Ca -0.12 2.14 -0.18 0.00 0.02 0.00 0.00 54.97 56.83 2git s GLU 69 Cb -0.05 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 31.09 2git s GLU 69 CO 0.04 -0.21 0.41 -0.59 0.02 0.00 0.00 175.26 174.94 2git s PHE 70 N -0.56 -0.26 -0.31 1.61 -0.71 -0.41 -4.82 117.98 112.53 2git s PHE 70 Ca 0.53 0.16 0.01 0.00 -1.04 0.00 0.00 56.93 56.59 2git s PHE 70 Cb -0.38 0.23 0.07 0.00 -1.21 0.00 0.00 43.02 41.73 2git s PHE 70 CO 0.45 -0.60 0.00 0.99 -1.34 0.00 0.00 175.22 174.73 2git s THR 71 N -2.76 2.57 0.43 -4.49 2.01 -1.26 -0.64 115.64 111.50 2git s THR 71 Ca -0.03 -1.82 -0.25 0.00 0.31 0.00 0.00 61.69 59.89 2git s THR 71 Cb -0.00 -2.64 -0.08 0.00 0.01 0.00 0.00 72.50 69.79 2git s THR 71 CO -0.04 -0.29 1.38 -2.16 -0.69 0.00 0.00 174.62 172.81 2git s PRO 72 N 1.09 3.79 0.36 4.92 0.04 -1.26 -4.78 135.00 139.17 2git s PRO 72 Ca -0.00 2.32 0.05 0.00 0.04 0.00 0.00 61.00 63.40 2git s PRO 72 Cb -0.20 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 2git s PRO 72 CO -0.05 -0.70 0.05 0.95 0.04 0.00 0.00 177.00 177.29 2git s THR 73 N -1.23 1.38 0.30 1.26 -4.23 -1.26 -0.56 115.64 111.30 2git s THR 73 Ca 0.60 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2git s THR 73 Cb -0.41 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 70.87 2git s THR 73 CO 0.53 0.00 1.94 -0.08 -0.54 0.00 0.00 174.62 176.47 2git h GLU 74 N 1.95 0.97 0.00 3.99 4.81 -1.97 -3.32 114.58 121.02 2git h GLU 74 Ca -0.41 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2git h GLU 74 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2git h GLU 74 CO 0.72 0.70 -0.84 1.63 -0.73 0.00 0.00 179.01 180.49 2git n LYS 75 N -4.38 1.79 -2.34 1.92 5.02 -1.26 -4.94 118.16 113.97 2git n LYS 75 Ca 0.07 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2git n LYS 75 Cb 0.08 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 2git n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2git s ASP 76 N -2.61 7.02 -0.11 4.39 1.01 -1.25 -5.02 116.67 120.11 2git s ASP 76 Ca 0.04 2.20 -0.03 0.00 0.71 0.00 0.00 52.55 55.47 2git s ASP 76 Cb 0.11 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 2git s ASP 76 CO 0.63 -0.47 0.02 -1.61 0.21 0.00 0.00 175.17 173.95 2git s GLU 77 N 0.44 3.22 0.19 8.23 2.02 -1.26 -4.76 118.70 126.77 2git s GLU 77 Ca 0.57 -0.37 0.08 0.00 0.02 0.00 0.00 54.97 55.27 2git s GLU 77 Cb -0.33 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2git s GLU 77 CO 0.33 0.63 -0.16 0.71 0.02 0.00 0.00 175.26 176.78 2git s TYR 78 N -0.66 1.79 0.18 1.61 1.51 -1.26 0.01 117.35 120.53 2git s TYR 78 Ca 0.11 -0.51 -0.21 0.00 -1.01 0.00 0.00 57.07 55.45 2git s TYR 78 Cb -0.12 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.93 2git s TYR 78 CO 0.02 0.36 0.59 0.00 -1.11 0.00 0.00 175.55 175.42 2git s ALA 79 N -2.51 -1.40 -0.07 3.71 0.00 -0.76 -0.43 121.76 120.30 2git s ALA 79 Ca 0.20 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.44 2git s ALA 79 Cb -0.03 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 2git s ALA 79 CO 0.07 -0.80 -0.24 0.00 0.00 0.00 0.00 175.76 174.78 2git s ARG 81 N 0.02 2.96 -0.04 0.00 3.52 0.11 -0.48 118.95 125.03 2git s ARG 81 Ca -0.09 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 54.72 2git s ARG 81 Cb -0.15 -2.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2git s ARG 81 CO 0.06 0.04 -0.19 0.08 -0.81 0.00 0.00 175.30 174.48 2git s VAL 82 N 0.69 1.55 0.10 7.11 1.01 -0.32 -0.90 120.40 129.63 2git s VAL 82 Ca -0.10 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.18 2git s VAL 82 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2git s VAL 82 CO 0.01 0.44 -0.24 0.21 0.00 0.00 0.00 175.10 175.52 2git s ASN 83 N -0.03 2.96 0.06 3.32 2.47 0.14 -1.45 114.94 122.41 2git s ASN 83 Ca -0.03 -0.68 -0.27 0.00 0.42 0.00 0.00 52.86 52.30 2git s ASN 83 Cb -0.12 -0.20 0.09 0.00 -1.45 0.00 0.00 41.25 39.57 2git s ASN 83 CO 0.02 0.15 0.79 -2.28 -3.72 0.00 0.00 177.10 172.07 2git s HIS 84 N -1.03 -0.40 0.53 0.43 2.46 -1.26 -1.38 115.29 114.65 2git s HIS 84 Ca 0.11 0.22 0.19 0.00 0.47 0.00 0.00 55.06 56.05 2git s HIS 84 Cb -0.10 0.55 1.38 0.00 -0.13 0.00 0.00 32.58 34.29 2git s HIS 84 CO 0.04 -0.67 2.16 0.28 -2.47 0.00 0.00 174.74 174.08 2git h VAL 85 N 2.00 0.89 0.00 0.89 2.07 -1.94 -2.15 116.25 118.01 2git h VAL 85 Ca -0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2git h VAL 85 Cb 1.26 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2git h VAL 85 CO 0.33 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.27 2git n THR 86 N -4.39 0.67 -3.74 2.57 -2.24 -1.26 -4.73 114.28 101.15 2git n THR 86 Ca -0.02 -0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2git n THR 86 Cb 0.13 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.40 2git n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2git s LEU 87 N -4.23 3.74 0.38 3.22 1.43 -0.81 -4.98 118.68 117.43 2git s LEU 87 Ca 0.08 -0.07 0.19 0.00 -1.03 0.00 0.00 54.13 53.30 2git s LEU 87 Cb 0.11 -2.01 0.67 0.00 0.03 0.00 0.00 46.19 45.00 2git s LEU 87 CO 0.48 0.01 1.73 0.77 0.23 0.00 0.00 176.35 179.56 2git h SER 88 N 7.94 0.00 -4.48 2.29 4.64 -1.85 -3.43 113.55 118.67 2git h SER 88 Ca -0.37 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.64 2git h SER 88 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2git h SER 88 CO 0.60 0.36 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.09 2git s GLN 89 N -3.57 0.79 0.32 4.77 -1.52 -1.26 -5.12 119.66 114.07 2git s GLN 89 Ca 0.00 -1.08 -0.29 0.00 -1.95 0.00 0.00 55.36 52.04 2git s GLN 89 Cb 0.11 -0.49 -0.11 0.00 -0.22 0.00 0.00 33.01 32.30 2git s GLN 89 CO 0.68 0.08 1.55 -2.14 -0.25 0.00 0.00 175.29 175.21 2git s PRO 90 N -2.58 4.12 -0.23 2.91 0.02 -1.26 -4.95 135.00 133.03 2git s PRO 90 Ca 0.03 2.57 -0.12 0.00 0.02 0.00 0.00 61.00 63.50 2git s PRO 90 Cb -0.04 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 2git s PRO 90 CO -0.00 -0.59 0.23 0.21 -0.33 0.00 0.00 177.00 176.52 2git s LYS 91 N -1.11 4.09 -0.14 5.54 2.47 -0.53 -4.91 119.74 125.14 2git s LYS 91 Ca 0.59 -0.15 -0.01 0.00 -1.56 0.00 0.00 55.97 54.85 2git s LYS 91 Cb -0.47 -3.55 -0.01 0.00 -1.46 0.00 0.00 37.83 32.33 2git s LYS 91 CO 0.54 0.01 -0.12 0.42 0.16 0.00 0.00 175.35 176.36 2git s ILE 92 N 1.20 3.11 -0.19 5.43 1.01 -1.26 -1.17 121.20 129.33 2git s ILE 92 Ca 0.11 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2git s ILE 92 Cb -0.14 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.03 2git s ILE 92 CO 0.06 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 174.64 2git s VAL 93 N 0.47 2.15 0.34 2.92 1.01 0.37 -4.98 120.40 122.69 2git s VAL 93 Ca -0.09 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.66 2git s VAL 93 Cb -0.16 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 2git s VAL 93 CO 0.04 0.49 1.02 -0.54 0.00 0.00 0.00 175.10 176.11 2git s LYS 94 N 1.29 4.43 -0.05 2.72 1.02 -1.26 -0.91 119.74 126.98 2git s LYS 94 Ca 0.04 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 2git s LYS 94 Cb -0.14 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2git s LYS 94 CO -0.12 0.10 1.30 -0.46 -0.92 0.00 0.00 175.35 175.25 2git s TRP 95 N -1.53 2.97 -0.22 3.18 -0.00 0.42 -4.90 118.94 118.86 2git s TRP 95 Ca 0.52 1.00 -0.01 0.00 -0.00 0.00 0.00 56.10 57.61 2git s TRP 95 Cb -0.23 -3.54 0.02 0.00 -0.00 0.00 0.00 33.47 29.72 2git s TRP 95 CO 0.29 -1.89 -0.10 0.34 -0.00 0.00 0.00 176.95 175.58 2git s ASP 96 N 1.77 3.92 0.00 5.86 -1.08 -1.26 -4.73 116.67 121.15 2git s ASP 96 Ca 0.59 -0.70 0.04 0.00 -0.52 0.00 0.00 52.55 51.96 2git s ASP 96 Cb -0.27 -1.62 0.15 0.00 -1.46 0.00 0.00 42.92 39.73 2git s ASP 96 CO 0.23 -0.06 1.10 -2.11 0.52 0.00 0.00 175.17 174.85 2git n ARG 97 N 4.67 0.00 -0.86 4.34 1.85 -1.26 -1.13 116.66 124.28 2git n ARG 97 Ca -0.18 0.42 -0.04 0.00 -1.00 0.00 0.00 57.85 57.05 2git n ARG 97 Cb 0.49 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.67 2git n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2git n ASP 98 N -1.48 4.47 0.00 2.89 10.43 -1.26 -4.76 116.55 126.84 2git n ASP 98 Ca 0.01 -3.00 0.00 0.00 2.57 0.00 0.00 54.79 54.37 2git n ASP 98 Cb 0.04 -0.71 0.00 0.00 1.84 0.00 0.00 41.12 42.29 2git n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36