#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbt s LYS 3 N 0.00 0.21 0.21 -0.78 2.20 -1.26 -0.39 119.74 119.93 2gbt s LYS 3 Ca 0.00 0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.86 2gbt s LYS 3 Cb 0.00 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 2gbt s LYS 3 CO 0.00 -0.05 0.25 0.00 -0.36 0.00 0.00 175.35 175.19 2gbt s ALA 4 N 0.32 0.63 -0.02 3.13 0.00 -0.00 -1.59 121.76 124.23 2gbt s ALA 4 Ca -0.02 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 50.43 2gbt s ALA 4 Cb -0.03 1.24 0.02 0.00 0.00 0.00 0.00 23.12 24.35 2gbt s ALA 4 CO -0.01 -0.68 0.28 0.54 0.00 0.00 0.00 175.76 175.88 2gbt s VAL 5 N -4.10 0.06 -0.06 0.00 0.11 0.12 -0.68 120.40 115.84 2gbt s VAL 5 Ca 0.32 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2gbt s VAL 5 Cb 0.04 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2gbt s VAL 5 CO 0.10 -0.26 -0.09 0.00 -3.33 0.00 0.00 175.10 171.52 2gbt s ALA 6 N -1.23 1.05 -0.31 1.54 0.00 0.37 -0.74 121.76 122.45 2gbt s ALA 6 Ca -0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 2gbt s ALA 6 Cb -0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2gbt s ALA 6 CO 0.03 0.02 0.14 0.08 0.00 0.00 0.00 175.76 176.03 2gbt s VAL 7 N 0.86 4.48 -0.14 0.00 1.01 -1.26 -0.91 120.40 124.43 2gbt s VAL 7 Ca -0.11 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 2gbt s VAL 7 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2gbt s VAL 7 CO 0.01 0.08 0.49 -0.76 0.00 0.00 0.00 175.10 174.92 2gbt s LEU 8 N 1.59 4.24 0.01 3.92 1.43 0.98 -3.95 118.68 126.90 2gbt s LEU 8 Ca 0.04 0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 2gbt s LEU 8 Cb -0.17 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.35 2gbt s LEU 8 CO 0.05 -0.05 0.19 -0.54 0.23 0.00 0.00 176.35 176.23 2gbt s LYS 9 N 0.87 0.56 0.00 1.70 1.02 -0.30 -2.10 119.74 121.50 2gbt s LYS 9 Ca 0.26 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2gbt s LYS 9 Cb -0.15 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 2gbt s LYS 9 CO 0.10 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 2gbt n GLY 10 N 1.26 4.45 0.39 -3.33 0.00 -1.25 -1.24 105.19 105.47 2gbt n GLY 10 Ca -0.22 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.75 2gbt n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gbt n ASP 11 N 0.00 1.50 0.00 1.61 8.00 -1.26 -4.93 116.55 121.47 2gbt n ASP 11 Ca 0.00 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.28 2gbt n ASP 11 Cb 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 2gbt n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbt n GLY 12 N 1.35 5.79 0.12 0.44 0.00 -1.26 -5.05 105.19 106.58 2gbt n GLY 12 Ca 0.12 -1.96 0.15 0.00 0.00 0.00 0.00 46.02 44.33 2gbt n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbt n PRO 13 N 0.00 0.94 -2.63 1.61 -0.04 -1.26 -4.89 135.00 128.73 2gbt n PRO 13 Ca 0.00 -0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 62.79 2gbt n PRO 13 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2gbt n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbt s VAL 14 N -2.23 4.64 0.03 0.52 1.01 -1.26 -4.37 120.40 118.74 2gbt s VAL 14 Ca 0.38 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.32 2gbt s VAL 14 Cb 0.21 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2gbt s VAL 14 CO 0.41 -0.12 -0.04 0.00 0.00 0.00 0.00 175.10 175.35 2gbt s GLN 15 N 2.91 0.37 0.10 2.72 -2.07 -0.98 -3.77 119.66 118.94 2gbt s GLN 15 Ca 0.47 -0.70 -0.27 0.00 -1.82 0.00 0.00 55.36 53.04 2gbt s GLN 15 Cb -0.17 0.08 0.08 0.00 -1.09 0.00 0.00 33.01 31.91 2gbt s GLN 15 CO 0.10 -0.05 1.06 0.20 -1.32 0.00 0.00 175.29 175.29 2gbt s GLY 16 N -1.65 -0.29 -0.07 2.60 0.00 -0.89 -0.65 107.32 106.37 2gbt s GLY 16 Ca -0.13 0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2gbt s GLY 16 CO -0.02 0.04 -0.04 -0.42 0.00 0.00 0.00 173.10 172.66 2gbt s ILE 17 N -3.02 0.63 -0.11 0.90 1.01 -0.58 -0.01 121.20 120.02 2gbt s ILE 17 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.69 2gbt s ILE 17 Cb 0.01 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.81 2gbt s ILE 17 CO 0.00 0.27 -0.16 -0.63 0.00 0.00 0.00 174.94 174.43 2gbt s ILE 18 N 1.38 1.54 0.06 2.92 -1.09 -0.09 -2.02 121.20 123.90 2gbt s ILE 18 Ca -0.03 -0.68 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2gbt s ILE 18 Cb -0.13 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 2gbt s ILE 18 CO -0.03 0.45 0.18 0.20 -1.23 0.00 0.00 174.94 174.51 2gbt s ASN 19 N 0.91 6.16 -0.04 3.58 0.01 0.15 -0.48 114.94 125.22 2gbt s ASN 19 Ca -0.08 0.21 0.03 0.00 -0.71 0.00 0.00 52.86 52.31 2gbt s ASN 19 Cb -0.15 -1.85 0.00 0.00 0.41 0.00 0.00 41.25 39.67 2gbt s ASN 19 CO -0.01 0.18 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.27 2gbt s PHE 20 N -1.47 1.39 -0.01 2.20 0.40 0.14 -1.32 117.98 119.31 2gbt s PHE 20 Ca 0.33 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2gbt s PHE 20 Cb -0.13 -0.97 0.01 0.00 0.51 0.00 0.00 43.02 42.44 2gbt s PHE 20 CO 0.26 -0.17 -0.01 -2.00 0.70 0.00 0.00 175.22 174.00 2gbt s GLU 21 N 0.26 0.22 -0.20 0.44 2.12 -0.07 -0.82 118.70 120.65 2gbt s GLU 21 Ca -0.06 0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.24 2gbt s GLU 21 Cb -0.12 -0.31 0.06 0.00 0.26 0.00 0.00 34.13 34.02 2gbt s GLU 21 CO 0.02 -0.05 0.04 -1.14 -0.54 0.00 0.00 175.26 173.59 2gbt s GLN 22 N 0.49 0.62 0.20 4.30 0.74 0.47 -0.71 119.66 125.78 2gbt s GLN 22 Ca -0.05 -0.42 -0.01 0.00 0.05 0.00 0.00 55.36 54.94 2gbt s GLN 22 Cb -0.07 -2.09 0.15 0.00 1.10 0.00 0.00 33.01 32.10 2gbt s GLN 22 CO -0.01 -0.65 1.52 0.87 -0.55 0.00 0.00 175.29 176.47 2gbt h LYS 23 N 8.25 0.45 -4.47 1.67 1.79 -1.81 -3.41 116.57 119.05 2gbt h LYS 23 Ca -0.16 -0.30 -0.29 0.00 -2.18 0.00 0.00 60.65 57.72 2gbt h LYS 23 Cb 1.12 0.04 -0.24 0.00 -1.58 0.00 0.00 32.23 31.57 2gbt h LYS 23 CO 0.34 0.90 -0.74 -1.21 -1.08 0.00 0.00 179.45 177.66 2gbt s GLU 24 N -3.91 0.49 0.41 3.15 2.02 -1.26 -5.06 118.70 114.53 2gbt s GLU 24 Ca -0.06 -0.53 0.10 0.00 0.02 0.00 0.00 54.97 54.49 2gbt s GLU 24 Cb 0.11 -0.34 0.86 0.00 0.10 0.00 0.00 34.13 34.86 2gbt s GLU 24 CO 0.83 0.07 1.97 0.66 0.02 0.00 0.00 175.26 178.81 2gbt h SER 25 N 5.09 0.25 -0.95 -0.19 4.64 -1.98 -0.60 113.55 119.82 2gbt h SER 25 Ca -0.33 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.39 2gbt h SER 25 Cb 1.20 -0.06 -0.29 0.00 -0.31 0.00 0.00 62.40 62.93 2gbt h SER 25 CO 0.44 0.33 0.64 0.59 -0.87 0.00 0.00 176.83 177.97 2gbt n ASN 26 N -4.35 5.33 -4.52 4.97 5.03 -1.26 -4.93 115.26 115.53 2gbt n ASN 26 Ca -0.00 -3.70 -0.24 0.00 0.87 0.00 0.00 54.58 51.50 2gbt n ASN 26 Cb 0.20 -0.87 -0.11 0.00 -1.02 0.00 0.00 39.78 37.99 2gbt n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2gbt s GLY 27 N -1.69 2.27 0.64 7.41 0.00 -0.23 -5.13 107.32 110.58 2gbt s GLY 27 Ca 0.59 -2.16 -0.16 0.00 0.00 0.00 0.00 44.72 42.99 2gbt s GLY 27 CO 0.05 -1.94 1.12 -4.14 0.00 0.00 0.00 173.10 168.19 2gbt s PRO 28 N -3.81 2.88 -0.26 2.90 0.02 -1.26 -4.84 135.00 130.62 2gbt s PRO 28 Ca 0.36 1.46 -0.10 0.00 0.02 0.00 0.00 61.00 62.73 2gbt s PRO 28 Cb 0.09 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2gbt s PRO 28 CO 0.17 -1.19 0.15 0.08 -0.33 0.00 0.00 177.00 175.87 2gbt s VAL 29 N -2.20 5.09 0.06 3.83 1.01 0.22 -4.43 120.40 123.97 2gbt s VAL 29 Ca 0.69 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 2gbt s VAL 29 Cb -0.22 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2gbt s VAL 29 CO 0.39 0.30 0.87 -0.54 0.00 0.00 0.00 175.10 176.12 2gbt s LYS 30 N 1.52 4.59 -0.14 2.72 1.02 0.12 -0.82 119.74 128.74 2gbt s LYS 30 Ca 0.07 1.27 -0.00 0.00 0.02 0.00 0.00 55.97 57.32 2gbt s LYS 30 Cb -0.15 -3.39 0.03 0.00 -0.52 0.00 0.00 37.83 33.80 2gbt s LYS 30 CO 0.08 0.19 -0.09 0.08 -0.92 0.00 0.00 175.35 174.69 2gbt s VAL 31 N 0.18 1.20 0.04 3.17 1.01 -0.06 -0.89 120.40 125.04 2gbt s VAL 31 Ca 0.44 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2gbt s VAL 31 Cb -0.22 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 34.96 2gbt s VAL 31 CO 0.26 0.33 0.32 -1.66 0.00 0.00 0.00 175.10 174.36 2gbt s TRP 32 N 1.63 -0.14 -5.00 5.22 -2.14 -0.43 -0.74 118.94 117.34 2gbt s TRP 32 Ca 0.04 0.05 0.00 0.00 2.66 0.00 0.00 56.10 58.85 2gbt s TRP 32 Cb -0.13 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 2gbt s TRP 32 CO -0.09 -0.50 0.00 0.41 -2.66 0.00 0.00 176.95 174.11 2gbt n GLY 33 N 0.65 -0.29 2.97 3.67 0.00 -0.53 0.30 105.19 111.95 2gbt n GLY 33 Ca -0.19 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2gbt n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gbt s SER 34 N -4.00 0.11 -0.03 1.61 0.15 -0.86 -0.92 113.70 109.76 2gbt s SER 34 Ca 0.00 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.43 2gbt s SER 34 Cb 0.00 0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2gbt s SER 34 CO 0.00 -0.21 -0.13 -0.63 1.20 0.00 0.00 173.24 173.47 2gbt s ILE 35 N -0.93 1.10 0.37 6.45 1.01 -0.14 -1.52 121.20 127.54 2gbt s ILE 35 Ca -0.10 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.07 2gbt s ILE 35 Cb -0.06 -0.96 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 2gbt s ILE 35 CO -0.00 0.33 0.01 -1.59 0.00 0.00 0.00 174.94 173.68 2gbt s LYS 36 N 0.06 1.82 0.00 2.79 -2.85 0.17 0.11 119.74 121.84 2gbt s LYS 36 Ca -0.02 -2.01 0.00 0.00 -1.00 0.00 0.00 55.97 52.94 2gbt s LYS 36 Cb -0.09 -1.37 0.00 0.00 -2.06 0.00 0.00 37.83 34.30 2gbt s LYS 36 CO 0.01 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2gbt n GLY 37 N -0.83 0.57 3.93 0.59 0.00 -0.88 -2.31 105.19 106.25 2gbt n GLY 37 Ca -0.04 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2gbt n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbt s LEU 38 N 0.00 4.25 0.31 0.99 1.43 -0.74 -4.29 118.68 120.64 2gbt s LEU 38 Ca 0.00 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.18 2gbt s LEU 38 Cb 0.00 -3.13 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 2gbt s LEU 38 CO 0.00 -0.01 1.22 0.42 0.23 0.00 0.00 176.35 178.21 2gbt s THR 39 N -1.81 3.04 0.15 5.49 -4.23 -1.26 -4.07 115.64 112.95 2gbt s THR 39 Ca 0.38 1.05 -0.34 0.00 -1.18 0.00 0.00 61.69 61.59 2gbt s THR 39 Cb -0.11 -3.67 -0.16 0.00 1.34 0.00 0.00 72.50 69.91 2gbt s THR 39 CO 0.29 0.25 1.29 1.21 -0.54 0.00 0.00 174.62 177.11 2gbt n GLU 40 N 0.96 1.33 0.00 3.99 2.13 -1.26 -4.64 120.64 123.15 2gbt n GLU 40 Ca -0.00 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2gbt n GLU 40 Cb 0.43 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2gbt n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gbt n GLY 41 N 2.33 0.27 3.79 8.31 0.00 -0.52 -4.92 105.19 114.45 2gbt n GLY 41 Ca 0.16 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 2gbt n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbt s LEU 42 N 0.00 4.55 -0.03 0.99 1.43 -1.26 -0.88 118.68 123.47 2gbt s LEU 42 Ca 0.00 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 2gbt s LEU 42 Cb 0.00 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 43.05 2gbt s LEU 42 CO 0.00 0.21 -0.00 -1.00 0.23 0.00 0.00 176.35 175.79 2gbt s HIS 43 N -1.18 0.36 0.50 0.29 3.76 -0.16 -2.68 115.29 116.17 2gbt s HIS 43 Ca 0.34 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 55.01 2gbt s HIS 43 Cb -0.21 -0.45 -0.08 0.00 1.11 0.00 0.00 32.58 32.95 2gbt s HIS 43 CO 0.23 -0.15 1.08 0.41 -0.85 0.00 0.00 174.74 175.47 2gbt n GLY 44 N 4.21 0.01 2.66 -2.22 0.00 -0.34 -1.02 105.19 108.50 2gbt n GLY 44 Ca -0.25 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2gbt n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gbt s PHE 45 N -1.35 -0.10 0.05 1.61 5.36 -0.03 -1.06 117.98 122.46 2gbt s PHE 45 Ca 0.68 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 2gbt s PHE 45 Cb -0.48 -0.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.52 2gbt s PHE 45 CO 0.53 -0.85 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.36 2gbt s HIS 46 N 2.24 0.64 -0.20 10.12 3.76 -0.71 -2.67 115.29 128.47 2gbt s HIS 46 Ca 0.09 -0.67 -0.18 0.00 -0.15 0.00 0.00 55.06 54.16 2gbt s HIS 46 Cb -0.15 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 2gbt s HIS 46 CO -0.33 -0.15 0.48 0.08 -0.85 0.00 0.00 174.74 173.97 2gbt s VAL 47 N -2.21 5.14 0.29 -0.90 1.01 -0.41 -0.80 120.40 122.51 2gbt s VAL 47 Ca -0.04 0.87 0.06 0.00 0.00 0.00 0.00 61.98 62.87 2gbt s VAL 47 Cb -0.04 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2gbt s VAL 47 CO -0.02 0.21 0.41 -1.00 0.00 0.00 0.00 175.10 174.69 2gbt s HIS 48 N 1.50 3.25 0.12 5.22 3.76 0.12 -0.96 115.29 128.30 2gbt s HIS 48 Ca 0.22 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 54.86 2gbt s HIS 48 Cb -0.15 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 2gbt s HIS 48 CO 0.09 0.20 1.51 1.49 -0.85 0.00 0.00 174.74 177.18 2gbt h GLU 49 N 1.04 0.77 -6.23 1.40 4.81 -0.47 -2.80 114.58 113.10 2gbt h GLU 49 Ca -0.48 -0.32 -0.68 0.00 -0.13 0.00 0.00 59.36 57.74 2gbt h GLU 49 Cb 1.24 -0.03 -0.19 0.00 0.63 0.00 0.00 28.75 30.41 2gbt h GLU 49 CO 0.57 0.94 -0.71 -0.06 -0.73 0.00 0.00 179.01 179.01 2gbt s PHE 50 N -4.68 2.88 -0.72 0.92 0.08 -0.03 -4.68 117.98 111.75 2gbt s PHE 50 Ca -0.12 -0.03 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 2gbt s PHE 50 Cb 0.10 -1.66 0.08 0.00 -0.57 0.00 0.00 43.02 40.97 2gbt s PHE 50 CO 0.82 0.33 2.65 0.41 -0.10 0.00 0.00 175.22 179.33 2gbt n GLY 51 N 1.97 4.63 3.14 4.36 0.00 -0.93 -3.64 105.19 114.71 2gbt n GLY 51 Ca -0.17 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 2gbt n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbt s ASP 52 N 0.35 4.35 -0.26 1.61 -1.08 -1.26 -4.95 116.67 115.42 2gbt s ASP 52 Ca 0.57 -1.12 0.12 0.00 -0.52 0.00 0.00 52.55 51.60 2gbt s ASP 52 Cb 0.32 -1.61 0.55 0.00 -1.46 0.00 0.00 42.92 40.72 2gbt s ASP 52 CO -0.18 -0.16 1.52 -3.20 0.52 0.00 0.00 175.17 173.66 2gbt n ASN 53 N 4.57 3.36 0.23 -0.34 4.05 -1.26 -2.73 115.26 123.14 2gbt n ASN 53 Ca -0.15 -3.41 0.10 0.00 0.45 0.00 0.00 54.58 51.57 2gbt n ASN 53 Cb 0.45 -0.63 0.52 0.00 1.23 0.00 0.00 39.78 41.35 2gbt n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2gbt h THR 54 N 1.48 0.59 -0.87 -0.44 1.35 -1.93 -2.96 112.91 110.12 2gbt h THR 54 Ca 0.17 -1.00 -0.47 0.00 -0.55 0.00 0.00 66.41 64.56 2gbt h THR 54 Cb 1.74 1.67 -0.42 0.00 -1.73 0.00 0.00 68.15 69.41 2gbt h THR 54 CO 0.41 0.21 -0.91 0.00 -0.25 0.00 0.00 175.52 174.98 2gbt n ALA 55 N -2.25 4.29 -0.44 6.62 0.00 -1.26 -5.07 120.51 122.39 2gbt n ALA 55 Ca -0.00 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.84 2gbt n ALA 55 Cb 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2gbt n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbt n GLY 56 N -0.56 0.02 0.20 0.00 0.00 -1.12 -3.73 105.19 99.99 2gbt n GLY 56 Ca 0.30 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.51 2gbt n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbt h THR 58 N 0.00 1.16 0.00 0.00 2.02 -1.91 -2.67 112.91 111.51 2gbt h THR 58 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2gbt h THR 58 Cb 0.53 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2gbt h THR 58 CO 0.00 0.17 0.00 0.28 0.37 0.00 0.00 175.52 176.34 2gbt h SER 59 N 0.71 0.00 0.71 4.18 0.02 -1.68 -2.77 113.55 114.73 2gbt h SER 59 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2gbt h SER 59 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2gbt h SER 59 CO -0.03 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.66 2gbt h ALA 60 N 2.09 1.00 -0.19 3.77 0.00 -1.27 -3.40 119.26 121.26 2gbt h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gbt h ALA 60 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gbt h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2gbt n GLY 61 N -0.12 -0.70 3.87 0.00 0.00 -1.05 -0.85 105.19 106.35 2gbt n GLY 61 Ca 0.01 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 2gbt n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbt s PRO 62 N 0.00 0.90 0.41 1.61 0.04 -1.26 -4.57 135.00 132.13 2gbt s PRO 62 Ca 0.00 -0.14 -0.25 0.00 0.04 0.00 0.00 61.00 60.65 2gbt s PRO 62 Cb 0.00 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2gbt s PRO 62 CO 0.00 -2.28 1.13 0.72 0.04 0.00 0.00 177.00 176.61 2gbt n HIS 63 N -3.73 1.62 -2.11 0.56 8.25 -1.26 -0.47 115.22 118.08 2gbt n HIS 63 Ca 0.12 0.54 -0.43 0.00 -0.26 0.00 0.00 57.72 57.69 2gbt n HIS 63 Cb 0.60 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.39 2gbt n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbt s PHE 64 N -1.22 2.06 -0.39 4.41 5.36 -0.14 -4.49 117.98 123.56 2gbt s PHE 64 Ca 0.62 0.58 0.10 0.00 -0.96 0.00 0.00 56.93 57.27 2gbt s PHE 64 Cb -0.54 -4.06 0.32 0.00 -0.34 0.00 0.00 43.02 38.40 2gbt s PHE 64 CO 0.57 -2.83 0.76 -1.71 -1.46 0.00 0.00 175.22 170.56 2gbt n ASN 65 N 8.98 0.05 0.27 6.13 5.15 -1.26 -1.59 115.26 132.99 2gbt n ASN 65 Ca 0.20 -3.08 0.13 0.00 -0.60 0.00 0.00 54.58 51.22 2gbt n ASN 65 Cb 0.46 -0.11 0.74 0.00 -0.53 0.00 0.00 39.78 40.34 2gbt n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gbt h PRO 66 N 3.21 0.00 -0.32 1.20 0.13 -1.97 -2.12 132.00 132.13 2gbt h PRO 66 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2gbt h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2gbt h PRO 66 CO 0.43 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.58 2gbt n LEU 67 N -3.69 2.47 -3.73 1.56 4.77 -1.26 -4.97 117.00 112.15 2gbt n LEU 67 Ca -0.02 -1.10 -0.23 0.00 -0.03 0.00 0.00 56.01 54.64 2gbt n LEU 67 Cb 0.22 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2gbt n LEU 67 CO 0.30 0.55 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.61 2gbt n SER 68 N 0.84 -1.58 -4.95 -1.43 7.64 -0.80 -5.00 113.62 108.36 2gbt n SER 68 Ca 0.17 -0.87 -0.19 0.00 1.01 0.00 0.00 58.87 58.99 2gbt n SER 68 Cb 0.44 -3.85 -0.01 0.00 -1.01 0.00 0.00 64.21 59.78 2gbt n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gbt s ARG 69 N -6.02 2.67 0.55 1.43 0.52 -1.26 -5.11 118.95 111.72 2gbt s ARG 69 Ca 0.06 -1.40 -0.16 0.00 -0.52 0.00 0.00 55.73 53.70 2gbt s ARG 69 Cb -0.02 -2.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 2gbt s ARG 69 CO 0.83 -0.26 1.03 0.15 0.02 0.00 0.00 175.30 177.06 2gbt s LYS 70 N -4.26 3.62 0.27 3.54 1.02 -1.26 -4.72 119.74 117.94 2gbt s LYS 70 Ca 0.52 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.32 2gbt s LYS 70 Cb -0.07 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 35.07 2gbt s LYS 70 CO 0.31 -0.56 1.37 -1.58 -0.92 0.00 0.00 175.35 173.97 2gbt s HIS 71 N -2.50 3.07 0.00 3.18 5.65 -0.69 -3.20 115.29 120.80 2gbt s HIS 71 Ca 0.62 1.19 0.00 0.00 0.25 0.00 0.00 55.06 57.12 2gbt s HIS 71 Cb -0.13 -3.73 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 2gbt s HIS 71 CO 0.33 -2.25 0.00 0.41 -0.65 0.00 0.00 174.74 172.58 2gbt n GLY 72 N 1.76 3.36 3.93 1.59 0.00 -1.25 -4.25 105.19 110.34 2gbt n GLY 72 Ca 0.04 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 2gbt n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbt s GLY 73 N -0.91 1.58 0.56 -0.02 0.00 -1.22 -4.69 107.32 102.61 2gbt s GLY 73 Ca 0.00 -0.83 0.24 0.00 0.00 0.00 0.00 44.72 44.13 2gbt s GLY 73 CO 0.00 -0.60 2.16 -0.56 0.00 0.00 0.00 173.10 174.09 2gbt h PRO 74 N 0.10 0.00 0.00 2.90 0.13 -1.88 -1.66 132.00 131.59 2gbt h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2gbt h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2gbt h PRO 74 CO 0.59 0.00 -0.04 1.63 -0.23 0.00 0.00 178.00 179.96 2gbt n LYS 75 N -4.15 0.16 -2.80 0.86 5.02 -1.26 -4.89 118.16 111.10 2gbt n LYS 75 Ca -0.01 0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 2gbt n LYS 75 Cb 0.19 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 2gbt n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gbt s ASP 76 N -3.94 7.31 0.13 4.39 1.01 -0.63 -4.97 116.67 119.98 2gbt s ASP 76 Ca 0.12 1.81 -0.13 0.00 0.71 0.00 0.00 52.55 55.05 2gbt s ASP 76 Cb 0.15 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2gbt s ASP 76 CO 0.58 -0.07 1.55 -0.08 0.21 0.00 0.00 175.17 177.37 2gbt h GLU 77 N 3.17 0.79 -6.03 8.23 4.81 -1.90 -3.38 114.58 120.26 2gbt h GLU 77 Ca -0.47 -0.29 -0.58 0.00 -0.13 0.00 0.00 59.36 57.90 2gbt h GLU 77 Cb 1.19 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2gbt h GLU 77 CO 0.65 0.90 0.97 -2.00 -0.73 0.00 0.00 179.01 178.79 2gbt s GLU 78 N -4.86 3.24 0.19 1.92 2.56 -1.26 -4.95 118.70 115.53 2gbt s GLU 78 Ca -0.12 -0.57 -0.23 0.00 0.00 0.00 0.00 54.97 54.05 2gbt s GLU 78 Cb 0.11 -4.37 0.06 0.00 2.00 0.00 0.00 34.13 31.92 2gbt s GLU 78 CO 0.82 -2.05 0.66 -0.98 -0.56 0.00 0.00 175.26 173.14 2gbt s ARG 79 N 5.07 1.41 0.55 4.30 1.70 -1.19 -3.79 118.95 126.99 2gbt s ARG 79 Ca 0.33 -0.62 -0.17 0.00 -0.47 0.00 0.00 55.73 54.80 2gbt s ARG 79 Cb -0.09 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 34.81 2gbt s ARG 79 CO 0.10 -0.63 1.03 -1.01 -1.08 0.00 0.00 175.30 173.71 2gbt s HIS 80 N -3.76 3.15 0.28 5.89 3.76 -1.23 -4.69 115.29 118.70 2gbt s HIS 80 Ca 0.05 1.51 0.01 0.00 -0.15 0.00 0.00 55.06 56.47 2gbt s HIS 80 Cb -0.03 -2.94 0.55 0.00 1.11 0.00 0.00 32.58 31.27 2gbt s HIS 80 CO -0.06 -0.80 1.82 0.28 -0.85 0.00 0.00 174.74 175.12 2gbt h VAL 81 N 0.79 0.88 -0.01 -0.90 2.07 -1.86 -2.43 116.25 114.79 2gbt h VAL 81 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2gbt h VAL 81 Cb 1.21 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2gbt h VAL 81 CO 0.59 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.96 2gbt n GLY 82 N -1.34 -0.93 3.54 2.17 0.00 -0.62 -4.31 105.19 103.70 2gbt n GLY 82 Ca 0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2gbt n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbt s ASP 83 N -1.47 6.54 -0.15 1.61 1.01 -0.92 -1.29 116.67 122.01 2gbt s ASP 83 Ca 0.23 -1.62 0.17 0.00 0.71 0.00 0.00 52.55 52.04 2gbt s ASP 83 Cb 0.11 -2.53 0.76 0.00 1.01 0.00 0.00 42.92 42.26 2gbt s ASP 83 CO 0.18 -1.40 1.68 0.18 0.21 0.00 0.00 175.17 176.01 2gbt n LEU 84 N 8.36 5.09 0.00 1.23 4.77 -1.09 -3.60 117.00 131.76 2gbt n LEU 84 Ca 0.32 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 2gbt n LEU 84 Cb 0.50 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2gbt n LEU 84 CO 0.63 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 2gbt n GLY 85 N 1.03 0.67 3.26 -0.72 0.00 -1.21 -4.79 105.19 103.44 2gbt n GLY 85 Ca 0.27 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 2gbt n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gbt s ASN 86 N -4.00 2.42 0.18 1.61 0.01 -1.26 -0.85 114.94 113.04 2gbt s ASN 86 Ca 0.00 -0.60 0.05 0.00 -0.71 0.00 0.00 52.86 51.60 2gbt s ASN 86 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 2gbt s ASN 86 CO 0.00 0.09 0.19 0.68 -1.51 0.00 0.00 177.10 176.56 2gbt s VAL 87 N -1.00 4.71 -0.17 1.60 -7.23 -0.19 -4.90 120.40 113.22 2gbt s VAL 87 Ca 0.06 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2gbt s VAL 87 Cb -0.09 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.41 2gbt s VAL 87 CO 0.03 -0.16 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.61 2gbt s THR 88 N -1.83 2.51 -0.03 5.32 2.01 -1.26 -0.99 115.64 121.37 2gbt s THR 88 Ca 0.32 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 2gbt s THR 88 Cb -0.10 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2gbt s THR 88 CO 0.25 0.51 0.33 0.00 -0.69 0.00 0.00 174.62 175.03 2gbt s ALA 89 N 1.03 3.76 1.00 7.40 0.00 -0.06 -4.20 121.76 130.69 2gbt s ALA 89 Ca -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 2gbt s ALA 89 Cb -0.15 -2.25 0.15 0.00 0.00 0.00 0.00 23.12 20.87 2gbt s ALA 89 CO -0.04 0.53 0.89 -0.40 0.00 0.00 0.00 175.76 176.74 2gbt n ASP 90 N 1.76 0.05 0.31 0.00 5.68 -0.40 -1.44 116.55 122.51 2gbt n ASP 90 Ca -0.15 -1.32 0.20 0.00 -0.50 0.00 0.00 54.79 53.02 2gbt n ASP 90 Cb 0.53 -0.68 1.01 0.00 -1.14 0.00 0.00 41.12 40.83 2gbt n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gbt h LYS 91 N 0.00 0.00 -0.20 0.11 2.10 -1.97 -0.48 116.57 116.13 2gbt h LYS 91 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2gbt h LYS 91 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2gbt h LYS 91 CO 0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 2gbt n ASP 92 N -3.02 2.22 0.00 7.07 8.00 -1.26 -4.86 116.55 124.71 2gbt n ASP 92 Ca -0.02 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.69 2gbt n ASP 92 Cb 0.15 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2gbt n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbt n GLY 93 N 1.25 0.43 3.46 0.44 0.00 -0.19 -4.74 105.19 105.84 2gbt n GLY 93 Ca 0.17 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2gbt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gbt s VAL 94 N -2.00 3.83 -0.31 1.61 1.01 -1.26 -1.79 120.40 121.49 2gbt s VAL 94 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2gbt s VAL 94 Cb 0.00 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2gbt s VAL 94 CO 0.00 0.46 0.05 0.00 0.00 0.00 0.00 175.10 175.62 2gbt s ALA 95 N 0.70 2.96 -0.13 5.51 0.00 0.12 -1.27 121.76 129.64 2gbt s ALA 95 Ca -0.01 -1.64 -0.22 0.00 0.00 0.00 0.00 51.96 50.09 2gbt s ALA 95 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2gbt s ALA 95 CO 0.02 -1.15 0.65 -0.51 0.00 0.00 0.00 175.76 174.77 2gbt s ASP 96 N 1.39 6.82 -0.13 0.00 1.01 -1.26 -0.96 116.67 123.54 2gbt s ASP 96 Ca -0.01 1.00 -0.01 0.00 0.71 0.00 0.00 52.55 54.23 2gbt s ASP 96 Cb -0.19 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2gbt s ASP 96 CO 0.01 -0.19 -0.09 -0.69 0.21 0.00 0.00 175.17 174.42 2gbt s VAL 97 N 1.34 3.39 -0.47 -1.27 1.01 -0.10 -4.80 120.40 119.49 2gbt s VAL 97 Ca 0.33 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2gbt s VAL 97 Cb -0.16 -2.44 0.24 0.00 0.00 0.00 0.00 36.38 34.02 2gbt s VAL 97 CO 0.13 0.52 0.84 -0.24 0.00 0.00 0.00 175.10 176.35 2gbt n SER 98 N 3.36 -2.38 -4.80 3.32 2.88 -1.25 -1.46 113.62 113.29 2gbt n SER 98 Ca -0.18 -3.22 -0.26 0.00 -1.33 0.00 0.00 58.87 53.88 2gbt n SER 98 Cb 0.53 1.44 -0.05 0.00 -0.75 0.00 0.00 64.21 65.37 2gbt n SER 98 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2gbt s ILE 99 N 0.37 1.97 -0.01 2.46 -4.36 0.08 -4.97 121.20 116.75 2gbt s ILE 99 Ca 0.32 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 2gbt s ILE 99 Cb 0.22 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 41.32 2gbt s ILE 99 CO -0.22 0.00 -0.04 -0.70 0.24 0.00 0.00 174.94 174.22 2gbt s GLU 100 N -4.03 0.44 0.00 0.37 2.12 -1.26 -0.88 118.70 115.45 2gbt s GLU 100 Ca 0.35 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.54 2gbt s GLU 100 Cb 0.01 -0.45 -0.00 0.00 0.26 0.00 0.00 34.13 33.95 2gbt s GLU 100 CO 0.20 0.06 -0.02 0.34 -0.54 0.00 0.00 175.26 175.30 2gbt s ASP 101 N 0.11 0.21 0.00 -1.70 2.15 -0.01 -4.96 116.67 112.48 2gbt s ASP 101 Ca -0.01 -0.12 0.07 0.00 0.43 0.00 0.00 52.55 52.93 2gbt s ASP 101 Cb -0.05 -0.00 0.20 0.00 -0.30 0.00 0.00 42.92 42.77 2gbt s ASP 101 CO -0.00 -0.04 1.13 -1.20 -0.17 0.00 0.00 175.17 174.89 2gbt n SER 102 N 2.77 2.53 -0.11 -0.34 7.64 -1.26 0.68 113.62 125.53 2gbt n SER 102 Ca -0.14 -1.92 -0.19 0.00 1.01 0.00 0.00 58.87 57.62 2gbt n SER 102 Cb 0.59 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.56 2gbt n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbt n VAL 103 N 0.24 1.20 -1.18 0.44 0.31 -1.26 -4.92 118.33 113.15 2gbt n VAL 103 Ca 0.08 -0.38 -0.32 0.00 -0.01 0.00 0.00 64.34 63.71 2gbt n VAL 103 Cb 0.35 -1.52 0.11 0.00 -0.91 0.00 0.00 33.84 31.87 2gbt n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2gbt s ILE 104 N -2.41 2.83 0.08 2.52 -4.36 -1.26 -4.99 121.20 113.62 2gbt s ILE 104 Ca -0.29 0.30 -0.12 0.00 -0.26 0.00 0.00 60.65 60.28 2gbt s ILE 104 Cb 0.10 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 41.15 2gbt s ILE 104 CO 0.43 -0.32 0.27 -0.55 0.24 0.00 0.00 174.94 175.00 2gbt s SER 105 N -2.92 -0.03 0.00 4.36 0.15 -1.19 -4.63 113.70 109.44 2gbt s SER 105 Ca 0.65 -0.44 0.25 0.00 0.70 0.00 0.00 55.95 57.11 2gbt s SER 105 Cb -0.21 0.37 0.37 0.00 -1.71 0.00 0.00 66.02 64.85 2gbt s SER 105 CO 0.53 -0.72 1.36 0.18 1.20 0.00 0.00 173.24 175.80 2gbt n LEU 106 N 0.12 2.74 -4.10 3.45 4.77 -1.26 -1.30 117.00 121.42 2gbt n LEU 106 Ca -0.16 -0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 54.78 2gbt n LEU 106 Cb 0.62 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2gbt n LEU 106 CO 0.21 0.47 -0.16 -0.94 -1.33 0.00 0.00 177.39 175.63 2gbt s SER 107 N -1.96 0.16 0.07 -1.43 1.04 -1.26 -4.70 113.70 105.62 2gbt s SER 107 Ca 0.31 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2gbt s SER 107 Cb 0.20 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2gbt s SER 107 CO 0.31 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2gbt n GLY 108 N -0.20 -1.88 0.33 7.32 0.00 -1.26 -3.56 105.19 105.95 2gbt n GLY 108 Ca -0.04 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.70 2gbt n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbt h ASP 109 N 0.00 0.37 -0.63 1.61 3.32 -2.00 -1.96 116.42 117.12 2gbt h ASP 109 Ca 0.00 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2gbt h ASP 109 Cb 0.00 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.37 2gbt h ASP 109 CO 0.00 0.24 0.21 1.41 -1.72 0.00 0.00 179.24 179.38 2gbt n HIS 110 N -4.48 2.13 -1.95 4.55 8.25 -1.26 -4.97 115.22 117.50 2gbt n HIS 110 Ca 0.06 -1.01 -0.42 0.00 -0.26 0.00 0.00 57.72 56.10 2gbt n HIS 110 Cb 0.23 -0.61 -0.02 0.00 1.12 0.00 0.00 29.99 30.71 2gbt n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbt s ALA 111 N -2.66 3.70 -2.94 -1.41 0.00 -0.74 -3.19 121.76 114.51 2gbt s ALA 111 Ca 0.48 1.38 0.24 0.00 0.00 0.00 0.00 51.96 54.06 2gbt s ALA 111 Cb 0.38 -3.59 0.25 0.00 0.00 0.00 0.00 23.12 20.16 2gbt s ALA 111 CO 0.12 -0.79 1.30 0.44 0.00 0.00 0.00 175.76 176.83 2gbt n ILE 112 N 2.90 0.03 -1.81 0.00 -5.35 -0.42 -4.90 119.36 109.80 2gbt n ILE 112 Ca 0.09 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.66 2gbt n ILE 112 Cb 0.39 1.41 -0.03 0.00 -1.74 0.00 0.00 39.64 39.68 2gbt n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2gbt s ILE 113 N -1.97 2.25 0.00 7.28 -1.09 -1.26 -1.75 121.20 124.65 2gbt s ILE 113 Ca 0.29 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 2gbt s ILE 113 Cb 0.20 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 2gbt s ILE 113 CO 0.30 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2gbt n GLY 114 N 3.66 0.81 2.24 6.18 0.00 0.64 -5.00 105.19 113.71 2gbt n GLY 114 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2gbt n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbt n ARG 115 N -2.23 0.84 -5.20 1.61 1.74 -0.72 -2.19 116.66 110.50 2gbt n ARG 115 Ca 0.00 -1.85 -0.32 0.00 -0.77 0.00 0.00 57.85 54.92 2gbt n ARG 115 Cb 0.00 -0.05 -0.16 0.00 -1.02 0.00 0.00 32.46 31.23 2gbt n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2gbt s THR 116 N -1.20 2.19 -0.08 0.55 2.01 -1.06 -0.33 115.64 117.72 2gbt s THR 116 Ca 0.31 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 2gbt s THR 116 Cb -0.02 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 2gbt s THR 116 CO 0.20 0.57 0.43 -0.22 -0.69 0.00 0.00 174.62 174.90 2gbt s LEU 117 N -0.02 4.34 -0.02 4.42 2.96 -0.41 0.10 118.68 130.04 2gbt s LEU 117 Ca -0.07 0.82 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 2gbt s LEU 117 Cb -0.15 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 2gbt s LEU 117 CO 0.05 0.12 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.37 2gbt s VAL 118 N 0.05 1.09 -0.08 1.68 1.01 0.02 -1.86 120.40 122.31 2gbt s VAL 118 Ca 0.24 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2gbt s VAL 118 Cb -0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2gbt s VAL 118 CO 0.10 0.32 -0.12 0.54 0.00 0.00 0.00 175.10 175.94 2gbt s VAL 119 N -0.16 3.19 0.32 2.92 0.11 -0.74 -1.74 120.40 124.30 2gbt s VAL 119 Ca 0.02 -0.65 0.07 0.00 -2.93 0.00 0.00 61.98 58.49 2gbt s VAL 119 Cb -0.07 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.46 2gbt s VAL 119 CO 0.00 0.57 0.27 -1.00 -3.33 0.00 0.00 175.10 171.61 2gbt s HIS 120 N -0.33 2.93 0.15 1.54 3.76 -0.22 -1.40 115.29 121.72 2gbt s HIS 120 Ca 0.03 -0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 54.52 2gbt s HIS 120 Cb -0.13 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.86 2gbt s HIS 120 CO 0.02 0.25 1.73 1.49 -0.85 0.00 0.00 174.74 177.38 2gbt h GLU 121 N 1.30 0.63 -5.53 1.40 4.81 -0.84 -3.38 114.58 112.98 2gbt h GLU 121 Ca -0.45 -0.09 -0.64 0.00 -0.13 0.00 0.00 59.36 58.04 2gbt h GLU 121 Cb 1.25 -0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.39 2gbt h GLU 121 CO 0.59 0.54 -0.58 0.15 -0.73 0.00 0.00 179.01 178.98 2gbt s LYS 122 N -5.72 2.03 0.37 1.92 1.02 0.98 -4.92 119.74 115.42 2gbt s LYS 122 Ca -0.13 -2.19 -0.27 0.00 0.02 0.00 0.00 55.97 53.40 2gbt s LYS 122 Cb 0.11 -1.60 -0.09 0.00 -0.52 0.00 0.00 37.83 35.72 2gbt s LYS 122 CO 0.75 -0.14 1.28 0.00 -0.92 0.00 0.00 175.35 176.32 2gbt s ALA 123 N -2.76 3.35 -0.12 5.17 0.00 -1.09 -1.19 121.76 125.11 2gbt s ALA 123 Ca 0.27 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 2gbt s ALA 123 Cb 0.08 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2gbt s ALA 123 CO 0.14 -0.68 1.14 0.34 0.00 0.00 0.00 175.76 176.70 2gbt s ASP 124 N -0.70 7.08 0.00 0.00 -1.08 -1.26 -3.91 116.67 116.80 2gbt s ASP 124 Ca 0.53 1.65 0.24 0.00 -0.52 0.00 0.00 52.55 54.45 2gbt s ASP 124 Cb -0.37 -2.55 1.23 0.00 -1.46 0.00 0.00 42.92 39.76 2gbt s ASP 124 CO 0.49 -0.60 1.82 -0.90 0.52 0.00 0.00 175.17 176.49 2gbt n ASP 125 N 5.65 0.61 -1.76 -0.34 5.68 0.23 -4.90 116.55 121.72 2gbt n ASP 125 Ca 0.11 -1.39 -0.17 0.00 -0.50 0.00 0.00 54.79 52.84 2gbt n ASP 125 Cb 0.46 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 2gbt n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gbt n LEU 126 N -0.44 -1.61 0.00 -2.12 4.77 -1.26 -1.50 117.00 114.83 2gbt n LEU 126 Ca 0.18 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2gbt n LEU 126 Cb 0.18 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 38.78 2gbt n LEU 126 CO 0.14 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 2gbt n GLY 127 N -0.97 0.52 0.94 -0.72 0.00 -1.23 -3.43 105.19 100.31 2gbt n GLY 127 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 2gbt n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbt n LYS 128 N -2.70 2.05 0.02 1.61 4.01 -0.56 -4.63 118.16 117.95 2gbt n LYS 128 Ca 0.00 -3.05 0.12 0.00 -0.51 0.00 0.00 58.31 54.87 2gbt n LYS 128 Cb 0.03 -1.78 0.23 0.00 -0.51 0.00 0.00 35.03 32.99 2gbt n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2gbt n GLY 129 N -1.00 -1.31 2.08 0.72 0.00 -1.26 -4.97 105.19 99.45 2gbt n GLY 129 Ca 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2gbt n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbt n GLY 130 N 1.44 0.42 3.22 -0.02 0.00 -1.26 -5.00 105.19 103.99 2gbt n GLY 130 Ca 0.05 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 2gbt n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbt s ASN 131 N -2.90 0.18 0.27 1.61 2.20 -1.26 -5.05 114.94 109.99 2gbt s ASN 131 Ca 0.00 -1.24 -0.00 0.00 -0.94 0.00 0.00 52.86 50.68 2gbt s ASN 131 Cb 0.00 0.37 0.50 0.00 -2.00 0.00 0.00 41.25 40.12 2gbt s ASN 131 CO 0.00 -0.82 1.85 -0.33 -2.94 0.00 0.00 177.10 174.85 2gbt h GLU 132 N 2.68 1.00 0.00 3.55 5.08 -2.02 -1.56 114.58 123.32 2gbt h GLU 132 Ca -0.35 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 2gbt h GLU 132 Cb 1.23 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2gbt h GLU 132 CO 0.54 0.66 -0.27 1.49 -1.00 0.00 0.00 179.01 180.42 2gbt h GLU 133 N 1.03 0.00 -0.90 2.33 4.57 -2.00 -3.15 114.58 116.46 2gbt h GLU 133 Ca 0.47 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.72 2gbt h GLU 133 Cb 0.39 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.91 2gbt h GLU 133 CO -0.24 0.27 0.56 1.03 -1.18 0.00 0.00 179.01 179.45 2gbt h SER 134 N 0.00 0.87 -0.30 1.04 0.87 -1.63 -0.59 113.55 113.81 2gbt h SER 134 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2gbt h SER 134 Cb 0.52 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2gbt h SER 134 CO 0.04 0.55 0.00 0.35 -0.53 0.00 0.00 176.83 177.23 2gbt n THR 135 N -4.61 0.39 -0.06 2.23 -2.24 -1.19 -1.97 114.28 106.84 2gbt n THR 135 Ca 0.14 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 2gbt n THR 135 Cb 0.20 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 2gbt n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2gbt n LYS 136 N 0.39 0.27 0.00 -0.78 5.02 -0.55 -1.71 118.16 120.81 2gbt n LYS 136 Ca 0.11 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2gbt n LYS 136 Cb 0.27 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 2gbt n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gbt n THR 137 N -3.62 0.00 -1.06 -0.18 -2.24 -0.34 -4.68 114.28 102.16 2gbt n THR 137 Ca -0.23 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.31 2gbt n THR 137 Cb 0.63 1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 70.12 2gbt n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbt n GLY 138 N 0.22 0.49 2.42 3.38 0.00 -0.83 -3.59 105.19 107.29 2gbt n GLY 138 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 2gbt n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gbt n ASN 139 N -0.07 -5.42 0.00 1.61 3.02 -1.26 -0.60 115.26 112.53 2gbt n ASN 139 Ca -0.02 0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.68 2gbt n ASN 139 Cb 0.20 -4.53 0.53 0.00 -0.61 0.00 0.00 39.78 35.37 2gbt n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbt n ALA 140 N -2.10 2.12 0.00 5.41 0.00 -1.24 -4.73 120.51 119.98 2gbt n ALA 140 Ca -0.22 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2gbt n ALA 140 Cb 0.67 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2gbt n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbt n GLY 141 N 1.02 -0.85 3.71 0.00 0.00 -1.26 -0.01 105.19 107.80 2gbt n GLY 141 Ca 0.06 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 2gbt n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gbt s SER 142 N -4.00 3.42 -0.34 1.61 1.04 -1.26 -4.63 113.70 109.54 2gbt s SER 142 Ca 0.00 1.50 -0.14 0.00 0.48 0.00 0.00 55.95 57.78 2gbt s SER 142 Cb 0.00 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.93 2gbt s SER 142 CO 0.00 -2.68 0.32 -0.13 0.98 0.00 0.00 173.24 171.74 2gbt s ARG 143 N -4.92 3.56 -0.01 4.02 0.52 -1.26 -0.80 118.95 120.06 2gbt s ARG 143 Ca 0.64 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 55.35 2gbt s ARG 143 Cb -0.18 -3.80 -0.28 0.00 0.52 0.00 0.00 34.95 31.21 2gbt s ARG 143 CO 0.57 -0.49 0.82 -0.07 0.02 0.00 0.00 175.30 176.15 2gbt h LEU 144 N 8.66 0.39 -7.08 2.53 3.38 -1.53 -3.47 115.31 118.19 2gbt h LEU 144 Ca -0.30 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.04 2gbt h LEU 144 Cb 1.15 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.59 2gbt h LEU 144 CO 0.67 1.47 0.12 0.00 0.09 0.00 0.00 178.44 180.79 2gbt s ALA 145 N -2.61 -1.61 0.25 1.53 0.00 -1.18 -4.10 121.76 114.04 2gbt s ALA 145 Ca -0.10 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 2gbt s ALA 145 Cb 0.07 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 2gbt s ALA 145 CO 0.85 -0.39 0.50 0.00 0.00 0.00 0.00 175.76 176.71 2gbt s GLY 147 N -3.01 -0.35 0.26 0.00 0.00 -0.78 -1.15 107.32 102.30 2gbt s GLY 147 Ca 0.21 2.10 -0.29 0.00 0.00 0.00 0.00 44.72 46.74 2gbt s GLY 147 CO 0.09 1.43 1.23 0.14 0.00 0.00 0.00 173.10 175.99 2gbt s VAL 148 N -0.37 3.18 -0.40 1.40 1.01 -1.26 -1.29 120.40 122.66 2gbt s VAL 148 Ca -0.02 1.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 2gbt s VAL 148 Cb -0.03 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2gbt s VAL 148 CO 0.01 0.22 0.94 -0.63 0.00 0.00 0.00 175.10 175.65 2gbt s ILE 149 N -0.67 4.52 0.25 2.22 1.01 0.55 -4.45 121.20 124.62 2gbt s ILE 149 Ca 0.50 1.07 0.10 0.00 0.00 0.00 0.00 60.65 62.31 2gbt s ILE 149 Cb -0.36 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 2gbt s ILE 149 CO 0.44 -0.67 -0.03 -0.83 0.00 0.00 0.00 174.94 173.84 2gbt s GLY 150 N 2.04 1.69 0.14 6.18 0.00 0.08 -0.26 107.32 117.18 2gbt s GLY 150 Ca 0.39 -1.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.16 2gbt s GLY 150 CO 0.22 -1.69 1.42 -0.42 0.00 0.00 0.00 173.10 172.63 2gbt s ILE 151 N -2.22 3.14 0.28 0.90 1.01 -1.26 -0.70 121.20 122.34 2gbt s ILE 151 Ca 0.30 0.83 0.11 0.00 0.00 0.00 0.00 60.65 61.90 2gbt s ILE 151 Cb -0.07 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2gbt s ILE 151 CO 0.19 0.07 -0.18 0.00 0.00 0.00 0.00 174.94 175.02 2gbt s ALA 152 N 0.96 2.73 -2.00 9.38 0.00 -0.62 -4.80 121.76 127.40 2gbt s ALA 152 Ca 0.65 -1.90 0.32 0.00 0.00 0.00 0.00 51.96 51.03 2gbt s ALA 152 Cb -0.38 -0.21 1.90 0.00 0.00 0.00 0.00 23.12 24.42 2gbt s ALA 152 CO 0.32 0.23 2.22 0.94 0.00 0.00 0.00 175.76 179.47