#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 1.05 0.19 -0.78 1.02 -1.26 0.01 119.74 119.96 2gbt s LYS 3 Ca 0.00 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 2gbt s LYS 3 Cb 0.00 -1.04 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 2gbt s LYS 3 CO 0.00 0.27 0.10 0.00 -0.92 0.00 0.00 175.35 174.81 2gbt s ALA 4 N -0.60 1.17 -0.04 5.17 0.00 -0.40 -1.39 121.76 125.67 2gbt s ALA 4 Ca 0.04 -1.66 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 2gbt s ALA 4 Cb -0.07 1.20 0.02 0.00 0.00 0.00 0.00 23.12 24.27 2gbt s ALA 4 CO 0.00 -0.54 0.26 0.54 0.00 0.00 0.00 175.76 176.02 2gbt s VAL 5 N -4.07 0.05 -0.06 0.00 0.11 -0.06 -0.83 120.40 115.54 2gbt s VAL 5 Ca 0.35 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2gbt s VAL 5 Cb 0.07 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.42 2gbt s VAL 5 CO 0.10 -0.21 -0.13 0.00 -3.33 0.00 0.00 175.10 171.52 2gbt s ALA 6 N -0.90 1.28 -0.31 1.54 0.00 0.20 -0.74 121.76 122.83 2gbt s ALA 6 Ca -0.10 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 2gbt s ALA 6 Cb -0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2gbt s ALA 6 CO 0.02 0.15 0.19 0.08 0.00 0.00 0.00 175.76 176.20 2gbt s VAL 7 N 0.51 4.99 -0.18 0.00 1.01 -1.26 -0.89 120.40 124.58 2gbt s VAL 7 Ca -0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2gbt s VAL 7 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2gbt s VAL 7 CO 0.03 0.09 0.46 -0.76 0.00 0.00 0.00 175.10 174.91 2gbt s LEU 8 N 1.69 4.19 0.04 3.92 1.43 0.45 -3.89 118.68 126.50 2gbt s LEU 8 Ca 0.06 0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 53.76 2gbt s LEU 8 Cb -0.17 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2gbt s LEU 8 CO 0.09 -0.08 0.07 -0.54 0.23 0.00 0.00 176.35 176.12 2gbt s LYS 9 N 1.20 0.57 0.00 1.70 1.02 -0.16 -2.10 119.74 121.97 2gbt s LYS 9 Ca 0.22 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.41 2gbt s LYS 9 Cb -0.15 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2gbt s LYS 9 CO 0.09 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 2gbt n GLY 10 N 0.74 3.38 0.06 -3.33 0.00 -1.25 -0.78 105.19 104.02 2gbt n GLY 10 Ca -0.19 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.54 0.58 0.00 1.61 8.00 -1.26 -4.88 116.55 120.05 2gbt n ASP 11 Ca 0.00 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2gbt n ASP 11 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 1.38 4.04 0.17 0.44 0.00 -1.26 -5.04 105.19 104.92 2gbt n GLY 12 Ca 0.05 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 0.83 -2.49 1.61 -0.04 -1.26 -4.90 135.00 128.76 2gbt n PRO 13 Ca 0.00 -0.34 -0.43 0.00 -0.04 0.00 0.00 63.50 62.69 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 -2.40 4.37 0.04 0.52 1.01 -1.26 -4.32 120.40 118.35 2gbt s VAL 14 Ca 0.30 1.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.80 2gbt s VAL 14 Cb 0.20 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2gbt s VAL 14 CO 0.46 -0.09 0.33 0.00 0.00 0.00 0.00 175.10 175.80 2gbt s GLN 15 N 2.92 0.82 -0.00 2.72 -2.07 -0.80 -3.77 119.66 119.48 2gbt s GLN 15 Ca 0.53 -0.45 -0.28 0.00 -1.82 0.00 0.00 55.36 53.34 2gbt s GLN 15 Cb -0.21 0.36 0.10 0.00 -1.09 0.00 0.00 33.01 32.16 2gbt s GLN 15 CO 0.16 -0.26 1.27 0.20 -1.32 0.00 0.00 175.29 175.34 2gbt s GLY 16 N -1.99 -0.16 -0.06 2.60 0.00 -0.89 -0.37 107.32 106.44 2gbt s GLY 16 Ca -0.06 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.80 2gbt s GLY 16 CO -0.02 4.50 -0.09 -0.42 0.00 0.00 0.00 173.10 177.06 2gbt s ILE 17 N -2.10 0.93 -0.08 0.90 1.01 -0.66 -0.42 121.20 120.80 2gbt s ILE 17 Ca 0.26 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2gbt s ILE 17 Cb 0.00 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.59 2gbt s ILE 17 CO -0.01 0.32 -0.16 -0.63 0.00 0.00 0.00 174.94 174.45 2gbt s ILE 18 N 0.85 1.46 0.05 2.92 -1.09 -0.07 -1.86 121.20 123.46 2gbt s ILE 18 Ca -0.12 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2gbt s ILE 18 Cb -0.15 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.39 2gbt s ILE 18 CO 0.01 0.43 0.05 0.20 -1.23 0.00 0.00 174.94 174.40 2gbt s ASN 19 N 0.56 5.39 -0.03 3.58 0.01 0.17 -0.63 114.94 124.01 2gbt s ASN 19 Ca -0.16 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.03 2gbt s ASN 19 Cb -0.17 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 2gbt s ASN 19 CO 0.05 0.21 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.33 2gbt s PHE 20 N -1.28 1.56 -0.03 2.20 0.40 -0.01 -1.33 117.98 119.49 2gbt s PHE 20 Ca 0.25 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.20 2gbt s PHE 20 Cb -0.12 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.40 2gbt s PHE 20 CO 0.17 -0.09 0.06 -2.00 0.70 0.00 0.00 175.22 174.07 2gbt s GLU 21 N -0.17 0.02 -0.25 0.44 2.12 -0.28 -1.27 118.70 119.31 2gbt s GLU 21 Ca 0.02 0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.53 2gbt s GLU 21 Cb -0.09 -0.14 0.07 0.00 0.26 0.00 0.00 34.13 34.23 2gbt s GLU 21 CO 0.01 -0.12 0.02 -1.14 -0.54 0.00 0.00 175.26 173.49 2gbt s GLN 22 N 0.76 1.04 0.29 4.30 0.74 0.10 -0.51 119.66 126.38 2gbt s GLN 22 Ca -0.06 -0.87 -0.01 0.00 0.05 0.00 0.00 55.36 54.47 2gbt s GLN 22 Cb -0.09 -2.30 0.42 0.00 1.10 0.00 0.00 33.01 32.14 2gbt s GLN 22 CO -0.03 -0.74 1.85 0.87 -0.55 0.00 0.00 175.29 176.69 2gbt h LYS 23 N 8.07 0.84 -4.09 1.67 1.57 -1.83 -3.42 116.57 119.38 2gbt h LYS 23 Ca -0.15 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.33 2gbt h LYS 23 Cb 1.07 -0.13 -0.17 0.00 0.08 0.00 0.00 32.23 33.07 2gbt h LYS 23 CO 0.41 0.73 -0.66 -1.83 -0.57 0.00 0.00 179.45 177.53 2gbt s GLU 24 N -5.28 0.50 0.15 3.15 -1.05 -1.26 -5.07 118.70 109.84 2gbt s GLU 24 Ca -0.10 -0.94 -0.31 0.00 -0.15 0.00 0.00 54.97 53.47 2gbt s GLU 24 Cb 0.16 0.18 -0.08 0.00 -0.44 0.00 0.00 34.13 33.95 2gbt s GLU 24 CO 0.80 -0.10 1.55 1.03 0.95 0.00 0.00 175.26 179.49 2gbt h SER 25 N 3.74 -1.95 -0.60 0.83 0.87 -1.99 -0.13 113.55 114.31 2gbt h SER 25 Ca -0.33 0.28 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 2gbt h SER 25 Cb 1.17 0.83 -0.11 0.00 -0.44 0.00 0.00 62.40 63.85 2gbt h SER 25 CO 0.55 -0.33 0.19 0.59 -0.53 0.00 0.00 176.83 177.30 2gbt n ASN 26 N -5.33 4.18 -4.77 6.23 5.03 -1.26 -4.75 115.26 114.60 2gbt n ASN 26 Ca -0.01 -3.31 -0.23 0.00 0.87 0.00 0.00 54.58 51.90 2gbt n ASN 26 Cb 0.31 -0.70 0.09 0.00 -1.02 0.00 0.00 39.78 38.46 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 -1.49 1.77 0.63 7.41 0.00 -0.06 -5.06 107.32 110.52 2gbt s GLY 27 Ca 0.51 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 2gbt s GLY 27 CO 0.10 -1.07 1.26 -4.14 0.00 0.00 0.00 173.10 169.25 2gbt s PRO 28 N -5.06 2.68 -0.19 2.90 0.02 -1.26 -4.88 135.00 129.22 2gbt s PRO 28 Ca 0.64 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.58 2gbt s PRO 28 Cb -0.07 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 2gbt s PRO 28 CO 0.43 -1.47 -0.03 0.08 -0.33 0.00 0.00 177.00 175.68 2gbt s VAL 29 N -1.49 3.73 -0.00 3.83 1.01 0.37 -4.29 120.40 123.56 2gbt s VAL 29 Ca 0.80 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 2gbt s VAL 29 Cb -0.35 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2gbt s VAL 29 CO 0.38 0.45 0.70 -0.54 0.00 0.00 0.00 175.10 176.09 2gbt s LYS 30 N 0.87 4.43 -0.16 2.72 1.02 0.33 -1.34 119.74 127.61 2gbt s LYS 30 Ca -0.00 0.92 0.00 0.00 0.02 0.00 0.00 55.97 56.91 2gbt s LYS 30 Cb -0.14 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2gbt s LYS 30 CO 0.02 0.24 -0.15 0.08 -0.92 0.00 0.00 175.35 174.62 2gbt s VAL 31 N 0.17 1.65 0.04 3.17 1.01 0.12 -1.13 120.40 125.43 2gbt s VAL 31 Ca 0.36 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2gbt s VAL 31 Cb -0.19 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.66 2gbt s VAL 31 CO 0.20 0.45 0.36 -1.66 0.00 0.00 0.00 175.10 174.45 2gbt s TRP 32 N 1.45 -0.19 -4.69 5.22 -2.14 -0.44 0.44 118.94 118.58 2gbt s TRP 32 Ca 0.04 0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.93 2gbt s TRP 32 Cb -0.13 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 2gbt s TRP 32 CO -0.11 -0.53 0.00 0.41 -2.66 0.00 0.00 176.95 174.06 2gbt n GLY 33 N 0.59 -0.50 2.89 3.67 0.00 -0.81 0.45 105.19 111.49 2gbt n GLY 33 Ca -0.19 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2gbt n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gbt s SER 34 N -4.00 0.15 -0.04 1.61 0.01 -0.77 -0.25 113.70 110.41 2gbt s SER 34 Ca 0.00 -0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.28 2gbt s SER 34 Cb 0.00 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 2gbt s SER 34 CO 0.00 0.01 -0.15 -0.63 0.41 0.00 0.00 173.24 172.88 2gbt s ILE 35 N -0.01 1.27 0.41 1.44 1.01 -0.40 -1.65 121.20 123.27 2gbt s ILE 35 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.08 2gbt s ILE 35 Cb -0.01 -1.09 -0.07 0.00 0.01 0.00 0.00 42.46 41.30 2gbt s ILE 35 CO -0.00 0.37 0.02 -1.59 0.00 0.00 0.00 174.94 173.74 2gbt s LYS 36 N 0.04 1.93 0.00 2.79 -2.85 0.50 -0.11 119.74 122.04 2gbt s LYS 36 Ca -0.03 -2.11 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 2gbt s LYS 36 Cb -0.10 -1.44 0.00 0.00 -2.06 0.00 0.00 37.83 34.23 2gbt s LYS 36 CO 0.02 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.74 2gbt n GLY 37 N -0.95 0.65 3.87 0.59 0.00 -1.04 -1.91 105.19 106.40 2gbt n GLY 37 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 4.18 0.46 0.99 1.43 -0.81 -4.32 118.68 120.61 2gbt s LEU 38 Ca 0.00 0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 53.83 2gbt s LEU 38 Cb 0.00 -3.67 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 2gbt s LEU 38 CO 0.00 -0.07 1.21 0.42 0.23 0.00 0.00 176.35 178.14 2gbt s THR 39 N -1.80 2.90 0.29 5.49 -4.23 -1.26 -4.10 115.64 112.93 2gbt s THR 39 Ca 0.47 0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 61.38 2gbt s THR 39 Cb -0.11 -3.37 -0.12 0.00 1.34 0.00 0.00 72.50 70.23 2gbt s THR 39 CO 0.21 0.01 1.47 1.21 -0.54 0.00 0.00 174.62 176.98 2gbt n GLU 40 N -0.43 2.35 0.00 3.99 2.13 -1.26 -4.62 120.64 122.80 2gbt n GLU 40 Ca 0.07 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2gbt n GLU 40 Cb 0.47 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.65 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 1.81 0.31 3.79 8.31 0.00 -0.73 -4.93 105.19 113.75 2gbt n GLY 41 Ca 0.09 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 4.52 -0.05 0.99 1.43 -1.26 -0.98 118.68 123.34 2gbt s LEU 42 Ca 0.00 1.52 -0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2gbt s LEU 42 Cb 0.00 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.97 2gbt s LEU 42 CO 0.00 0.18 -0.01 -1.00 0.23 0.00 0.00 176.35 175.76 2gbt s HIS 43 N -1.23 0.53 0.43 0.29 3.76 0.13 -3.01 115.29 116.20 2gbt s HIS 43 Ca 0.36 -0.09 -0.24 0.00 -0.15 0.00 0.00 55.06 54.93 2gbt s HIS 43 Cb -0.21 -0.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.77 2gbt s HIS 43 CO 0.24 -0.22 1.12 0.41 -0.85 0.00 0.00 174.74 175.43 2gbt n GLY 44 N 4.54 0.10 2.63 -2.22 0.00 -0.49 -0.60 105.19 109.14 2gbt n GLY 44 Ca -0.18 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.26 0.58 0.02 1.61 5.36 -0.28 -0.63 117.98 123.38 2gbt s PHE 45 Ca 0.63 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 2gbt s PHE 45 Cb -0.53 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.21 2gbt s PHE 45 CO 0.56 -0.66 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.61 2gbt s HIS 46 N 2.01 0.41 -0.08 10.12 3.76 -0.79 -1.62 115.29 129.09 2gbt s HIS 46 Ca 0.04 -0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.42 2gbt s HIS 46 Cb -0.16 -0.26 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 2gbt s HIS 46 CO -0.18 -0.07 0.73 0.08 -0.85 0.00 0.00 174.74 174.45 2gbt s VAL 47 N -0.78 5.02 0.26 -0.90 1.01 0.41 -0.70 120.40 124.71 2gbt s VAL 47 Ca -0.06 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.48 2gbt s VAL 47 Cb -0.06 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2gbt s VAL 47 CO -0.00 0.21 0.18 -1.00 0.00 0.00 0.00 175.10 174.49 2gbt s HIS 48 N 1.05 3.06 0.17 5.22 3.76 0.14 -1.57 115.29 127.13 2gbt s HIS 48 Ca 0.38 -0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 55.07 2gbt s HIS 48 Cb -0.18 -1.39 0.05 0.00 1.11 0.00 0.00 32.58 32.17 2gbt s HIS 48 CO 0.17 0.52 1.59 1.49 -0.85 0.00 0.00 174.74 177.66 2gbt h GLU 49 N 1.53 1.00 -6.00 1.40 4.81 -0.81 -2.72 114.58 113.78 2gbt h GLU 49 Ca -0.48 -0.39 -0.68 0.00 -0.13 0.00 0.00 59.36 57.68 2gbt h GLU 49 Cb 1.24 -0.05 -0.18 0.00 0.63 0.00 0.00 28.75 30.39 2gbt h GLU 49 CO 0.61 1.07 -0.67 -0.06 -0.73 0.00 0.00 179.01 179.23 2gbt s PHE 50 N -4.76 3.01 -0.37 0.92 0.08 -0.09 -4.65 117.98 112.12 2gbt s PHE 50 Ca -0.11 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 2gbt s PHE 50 Cb 0.13 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2gbt s PHE 50 CO 0.86 0.33 2.94 0.41 -0.10 0.00 0.00 175.22 179.67 2gbt n GLY 51 N 2.34 4.09 3.15 4.36 0.00 -1.00 -3.58 105.19 114.56 2gbt n GLY 51 Ca -0.18 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 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 0.67 4.71 -0.27 1.61 -1.08 -1.26 -4.96 116.67 116.09 2gbt s ASP 52 Ca 0.61 -1.26 0.12 0.00 -0.52 0.00 0.00 52.55 51.50 2gbt s ASP 52 Cb 0.37 -1.67 0.60 0.00 -1.46 0.00 0.00 42.92 40.77 2gbt s ASP 52 CO -0.18 -0.23 1.58 -3.20 0.52 0.00 0.00 175.17 173.66 2gbt n ASN 53 N 4.58 3.80 0.14 -0.34 5.15 -1.26 -2.66 115.26 124.67 2gbt n ASN 53 Ca -0.14 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.52 2gbt n ASN 53 Cb 0.43 -0.65 0.28 0.00 -0.53 0.00 0.00 39.78 39.32 2gbt n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2gbt h THR 54 N 1.82 1.30 -1.54 -0.44 1.35 -1.93 -3.09 112.91 110.39 2gbt h THR 54 Ca 0.18 -1.45 -0.60 0.00 -0.55 0.00 0.00 66.41 63.99 2gbt h THR 54 Cb 1.86 1.72 -0.41 0.00 -1.73 0.00 0.00 68.15 69.59 2gbt h THR 54 CO 0.48 0.42 -0.63 0.00 -0.25 0.00 0.00 175.52 175.54 2gbt n ALA 55 N -2.47 5.15 -0.90 6.62 0.00 -1.26 -5.06 120.51 122.59 2gbt n ALA 55 Ca -0.02 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.11 2gbt n ALA 55 Cb 0.45 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.49 2.15 0.11 0.00 0.00 -1.17 -2.73 105.19 103.07 2gbt n GLY 56 Ca 0.40 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 1.22 0.00 0.00 2.02 -1.86 -2.95 112.91 111.34 2gbt h THR 58 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2gbt h THR 58 Cb 0.69 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2gbt h THR 58 CO 0.00 0.27 0.00 -1.54 0.37 0.00 0.00 175.52 174.62 2gbt n SER 59 N -4.33 0.00 0.33 4.18 3.41 -1.23 -2.65 113.62 113.33 2gbt n SER 59 Ca 0.06 -0.11 0.22 0.00 -0.26 0.00 0.00 58.87 58.78 2gbt n SER 59 Cb 0.14 -0.29 1.11 0.00 -0.26 0.00 0.00 64.21 64.92 2gbt n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gbt h ALA 60 N 3.34 1.02 -0.18 7.33 0.00 -1.32 -3.40 119.26 126.05 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 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 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 -0.87 -0.85 3.82 0.00 0.00 -1.08 -0.92 105.19 105.29 2gbt n GLY 61 Ca -0.02 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 0.71 0.28 1.61 0.04 -1.26 -4.60 135.00 131.78 2gbt s PRO 62 Ca 0.00 -0.04 -0.28 0.00 0.04 0.00 0.00 61.00 60.71 2gbt s PRO 62 Cb 0.00 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.58 2gbt s PRO 62 CO 0.00 -2.43 1.00 0.72 0.04 0.00 0.00 177.00 176.34 2gbt n HIS 63 N -3.86 1.24 -2.23 0.56 8.25 -1.26 -0.85 115.22 117.06 2gbt n HIS 63 Ca 0.11 0.71 -0.42 0.00 -0.26 0.00 0.00 57.72 57.86 2gbt n HIS 63 Cb 0.60 -2.24 -0.03 0.00 1.12 0.00 0.00 29.99 29.43 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 -1.03 2.91 -0.42 4.41 5.36 -0.61 -4.52 117.98 124.09 2gbt s PHE 64 Ca 0.59 0.86 0.04 0.00 -0.96 0.00 0.00 56.93 57.46 2gbt s PHE 64 Cb -0.71 -3.65 0.17 0.00 -0.34 0.00 0.00 43.02 38.49 2gbt s PHE 64 CO 0.60 -2.37 0.43 1.21 -1.46 0.00 0.00 175.22 173.63 2gbt s ASN 65 N 1.78 0.79 0.42 6.13 2.47 -1.26 -2.84 114.94 122.43 2gbt s ASN 65 Ca 0.63 -2.28 0.23 0.00 0.42 0.00 0.00 52.86 51.87 2gbt s ASN 65 Cb -0.32 0.38 0.71 0.00 -1.45 0.00 0.00 41.25 40.58 2gbt s ASN 65 CO 0.27 -0.18 1.74 1.55 -3.72 0.00 0.00 177.10 176.75 2gbt h PRO 66 N 6.01 0.00 -0.00 0.43 0.13 -1.93 -3.50 132.00 133.13 2gbt h PRO 66 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2gbt h PRO 66 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 2gbt h PRO 66 CO 0.23 0.23 -0.00 0.39 -0.23 0.00 0.00 178.00 178.62 2gbt n GLU 78 N -3.29 -0.00 -4.39 0.86 1.02 -1.26 -5.10 120.64 108.48 2gbt n GLU 78 Ca 0.01 0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 2gbt n GLU 78 Cb 0.49 -0.01 -0.10 0.00 -0.02 0.00 0.00 31.44 31.80 2gbt n GLU 78 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2gbt s ARG 79 N -5.00 1.75 0.79 3.49 0.52 -1.26 -5.13 118.95 114.11 2gbt s ARG 79 Ca -0.00 -1.50 -0.12 0.00 -0.52 0.00 0.00 55.73 53.59 2gbt s ARG 79 Cb 0.00 -1.94 0.07 0.00 0.52 0.00 0.00 34.95 33.60 2gbt s ARG 79 CO 0.00 0.39 1.13 -3.38 0.02 0.00 0.00 175.30 173.47 2gbt s HIS 80 N -1.89 2.19 0.20 -0.53 -3.43 -1.26 -4.93 115.29 105.64 2gbt s HIS 80 Ca 0.24 1.64 -0.12 0.00 -0.80 0.00 0.00 55.06 56.03 2gbt s HIS 80 Cb -0.07 -3.24 0.14 0.00 -1.43 0.00 0.00 32.58 27.97 2gbt s HIS 80 CO 0.13 -2.24 1.86 0.28 -2.00 0.00 0.00 174.74 172.76 2gbt h VAL 81 N -1.00 1.14 0.00 -5.38 2.07 -1.92 -2.30 116.25 108.86 2gbt h VAL 81 Ca -0.45 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2gbt h VAL 81 Cb 1.26 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2gbt h VAL 81 CO 0.48 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.84 2gbt n GLY 82 N -1.28 -0.80 3.57 2.17 0.00 -1.20 -4.15 105.19 103.50 2gbt n GLY 82 Ca 0.06 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2gbt n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbt s ASP 83 N -1.26 6.33 -0.23 1.61 -1.08 -0.87 -0.45 116.67 120.73 2gbt s ASP 83 Ca 0.02 -0.12 0.14 0.00 -0.52 0.00 0.00 52.55 52.08 2gbt s ASP 83 Cb 0.01 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 39.57 2gbt s ASP 83 CO 0.02 -1.62 1.58 0.18 0.52 0.00 0.00 175.17 175.85 2gbt n LEU 84 N 8.80 4.80 0.00 -1.34 4.77 -0.64 -4.98 117.00 128.41 2gbt n LEU 84 Ca 0.06 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 2gbt n LEU 84 Cb 0.49 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2gbt n LEU 84 CO 0.71 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2gbt n GLY 85 N -0.17 1.12 3.51 -0.72 0.00 -1.24 -4.81 105.19 102.88 2gbt n GLY 85 Ca 0.27 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 3.73 0.20 1.61 0.01 -1.26 -1.12 114.94 114.11 2gbt s ASN 86 Ca 0.00 -1.02 0.07 0.00 -0.71 0.00 0.00 52.86 51.20 2gbt s ASN 86 Cb 0.00 -0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 2gbt s ASN 86 CO 0.00 -0.02 0.06 0.68 -1.51 0.00 0.00 177.10 176.31 2gbt s VAL 87 N -2.51 3.92 -0.16 1.60 -7.23 0.23 -4.87 120.40 111.38 2gbt s VAL 87 Ca 0.31 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2gbt s VAL 87 Cb -0.04 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 33.89 2gbt s VAL 87 CO 0.16 -0.20 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.66 2gbt s THR 88 N -1.91 2.16 -0.01 5.32 2.01 -1.26 -0.69 115.64 121.26 2gbt s THR 88 Ca 0.30 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 2gbt s THR 88 Cb -0.09 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2gbt s THR 88 CO 0.21 0.54 0.54 0.00 -0.69 0.00 0.00 174.62 175.21 2gbt s ALA 89 N 1.02 3.54 1.00 7.40 0.00 -0.15 -4.15 121.76 130.43 2gbt s ALA 89 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 2gbt s ALA 89 Cb -0.14 -2.64 0.08 0.00 0.00 0.00 0.00 23.12 20.41 2gbt s ALA 89 CO -0.06 0.24 0.48 -0.40 0.00 0.00 0.00 175.76 176.01 2gbt n ASP 90 N 2.54 -0.04 0.14 0.00 5.68 -0.00 -1.77 116.55 123.11 2gbt n ASP 90 Ca -0.09 -1.15 0.16 0.00 -0.50 0.00 0.00 54.79 53.21 2gbt n ASP 90 Cb 0.51 -0.37 0.73 0.00 -1.14 0.00 0.00 41.12 40.85 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 -0.11 0.11 2.10 -1.97 -0.82 116.57 115.87 2gbt h LYS 91 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2gbt h LYS 91 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2gbt h LYS 91 CO 0.11 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 2gbt n ASP 92 N -4.22 2.00 0.00 7.07 8.00 -1.26 -4.91 116.55 123.22 2gbt n ASP 92 Ca 0.04 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.83 2gbt n ASP 92 Cb 0.37 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 1.22 0.60 3.54 0.44 0.00 -0.31 -4.75 105.19 105.93 2gbt n GLY 93 Ca 0.17 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 4.15 -0.27 1.61 1.01 -1.26 -1.92 120.40 121.73 2gbt s VAL 94 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 2gbt s VAL 94 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2gbt s VAL 94 CO 0.00 0.48 0.03 0.00 0.00 0.00 0.00 175.10 175.62 2gbt s ALA 95 N 0.36 2.98 -0.57 5.51 0.00 0.85 -0.82 121.76 130.07 2gbt s ALA 95 Ca -0.02 -1.35 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 2gbt s ALA 95 Cb -0.14 -1.99 0.07 0.00 0.00 0.00 0.00 23.12 21.07 2gbt s ALA 95 CO 0.02 -0.74 0.75 0.34 0.00 0.00 0.00 175.76 176.13 2gbt s ASP 96 N 1.49 6.22 -0.14 0.00 -1.08 -1.26 -1.27 116.67 120.63 2gbt s ASP 96 Ca 0.03 -1.01 -0.18 0.00 -0.52 0.00 0.00 52.55 50.87 2gbt s ASP 96 Cb -0.16 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 38.92 2gbt s ASP 96 CO 0.01 -1.11 0.48 -0.69 0.52 0.00 0.00 175.17 174.38 2gbt s VAL 97 N 3.09 5.17 -0.18 1.11 1.01 0.65 -4.93 120.40 126.32 2gbt s VAL 97 Ca 0.17 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 2gbt s VAL 97 Cb -0.19 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.45 2gbt s VAL 97 CO 0.11 0.29 0.22 -0.55 0.00 0.00 0.00 175.10 175.16 2gbt s SER 98 N 0.77 1.18 0.03 3.32 0.15 -1.26 -1.92 113.70 115.97 2gbt s SER 98 Ca 0.25 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.87 2gbt s SER 98 Cb -0.15 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 2gbt s SER 98 CO 0.10 -0.30 -0.07 -0.63 1.20 0.00 0.00 173.24 173.54 2gbt s ILE 99 N 2.33 0.49 -0.10 6.45 1.01 0.17 -5.01 121.20 126.54 2gbt s ILE 99 Ca 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2gbt s ILE 99 Cb -0.15 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.81 2gbt s ILE 99 CO -0.11 -0.24 -0.16 -0.70 0.00 0.00 0.00 174.94 173.73 2gbt s GLU 100 N -1.16 2.28 -0.03 2.79 2.12 -1.26 0.16 118.70 123.59 2gbt s GLU 100 Ca -0.07 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.69 2gbt s GLU 100 Cb -0.08 -1.88 0.01 0.00 0.26 0.00 0.00 34.13 32.44 2gbt s GLU 100 CO 0.00 -0.00 -0.10 0.34 -0.54 0.00 0.00 175.26 174.96 2gbt s ASP 101 N 0.81 1.30 -0.01 -1.70 2.15 -0.45 -4.97 116.67 113.81 2gbt s ASP 101 Ca -0.10 -0.20 0.16 0.00 0.43 0.00 0.00 52.55 52.83 2gbt s ASP 101 Cb -0.16 -0.40 0.47 0.00 -0.30 0.00 0.00 42.92 42.54 2gbt s ASP 101 CO 0.01 0.06 1.39 -1.54 -0.17 0.00 0.00 175.17 174.92 2gbt n SER 102 N 3.38 3.45 -0.12 -0.34 3.41 -1.26 -0.48 113.62 121.67 2gbt n SER 102 Ca -0.19 -2.04 -0.21 0.00 -0.26 0.00 0.00 58.87 56.17 2gbt n SER 102 Cb 0.54 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.03 2gbt n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gbt n VAL 103 N 0.99 1.29 -1.38 -3.33 0.31 -1.26 -4.87 118.33 110.07 2gbt n VAL 103 Ca 0.18 -0.40 -0.32 0.00 -0.01 0.00 0.00 64.34 63.78 2gbt n VAL 103 Cb 0.54 -1.57 0.09 0.00 -0.91 0.00 0.00 33.84 31.98 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 -2.44 2.86 0.13 2.52 -4.36 -1.26 -4.92 121.20 113.74 2gbt s ILE 104 Ca -0.32 0.35 -0.05 0.00 -0.26 0.00 0.00 60.65 60.38 2gbt s ILE 104 Cb 0.10 -2.80 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 2gbt s ILE 104 CO 0.46 -0.30 0.15 -0.55 0.24 0.00 0.00 174.94 174.94 2gbt s SER 105 N -2.68 0.21 0.00 4.36 0.15 -1.08 -4.64 113.70 110.01 2gbt s SER 105 Ca 0.67 -0.99 0.23 0.00 0.70 0.00 0.00 55.95 56.56 2gbt s SER 105 Cb -0.22 0.34 0.28 0.00 -1.71 0.00 0.00 66.02 64.71 2gbt s SER 105 CO 0.49 -0.77 1.30 0.18 1.20 0.00 0.00 173.24 175.64 2gbt n LEU 106 N -0.11 3.16 -4.09 3.45 4.77 -1.26 -1.64 117.00 121.28 2gbt n LEU 106 Ca -0.08 -1.21 -0.10 0.00 -0.03 0.00 0.00 56.01 54.59 2gbt n LEU 106 Cb 0.63 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2gbt n LEU 106 CO 0.27 0.60 -0.17 -0.94 -1.33 0.00 0.00 177.39 175.81 2gbt s SER 107 N -1.76 0.18 0.39 -1.43 1.04 -1.26 -4.74 113.70 106.12 2gbt s SER 107 Ca 0.32 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2gbt s SER 107 Cb 0.21 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2gbt s SER 107 CO 0.30 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2gbt n GLY 108 N -0.18 -0.51 0.24 7.32 0.00 -1.26 -3.36 105.19 107.45 2gbt n GLY 108 Ca -0.04 -1.11 0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 0.42 0.22 -0.30 1.61 3.32 -2.00 -2.10 116.42 117.58 2gbt h ASP 109 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2gbt h ASP 109 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2gbt h ASP 109 CO 0.00 0.37 0.00 1.41 -1.72 0.00 0.00 179.24 179.30 2gbt n HIS 110 N -4.29 0.55 -1.91 4.55 8.25 -1.26 -4.86 115.22 116.26 2gbt n HIS 110 Ca -0.01 -0.24 -0.42 0.00 -0.26 0.00 0.00 57.72 56.80 2gbt n HIS 110 Cb 0.26 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.62 3.73 -2.23 -1.41 0.00 -0.79 -2.65 121.76 116.79 2gbt s ALA 111 Ca 0.22 1.42 0.20 0.00 0.00 0.00 0.00 51.96 53.80 2gbt s ALA 111 Cb 0.13 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.73 2gbt s ALA 111 CO 0.12 -0.83 1.07 0.44 0.00 0.00 0.00 175.76 176.57 2gbt n ILE 112 N 2.99 0.00 -1.72 0.00 -5.35 -0.65 -4.92 119.36 109.72 2gbt n ILE 112 Ca 0.10 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.74 2gbt n ILE 112 Cb 0.39 1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.60 2gbt n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gbt n ILE 113 N 0.66 0.03 -0.84 7.28 2.08 -1.26 -1.62 119.36 125.69 2gbt n ILE 113 Ca 0.10 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.41 2gbt n ILE 113 Cb 0.47 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 2gbt n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gbt n GLY 114 N 3.98 0.88 2.79 7.39 0.00 0.57 -5.00 105.19 115.80 2gbt n GLY 114 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.09 0.76 -4.98 1.61 1.74 -0.64 -2.37 116.66 110.69 2gbt n ARG 115 Ca 0.00 -2.30 -0.32 0.00 -0.77 0.00 0.00 57.85 54.45 2gbt n ARG 115 Cb 0.00 -0.07 -0.15 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 -1.68 2.71 -0.14 0.55 2.01 -1.03 -0.02 115.64 118.04 2gbt s THR 116 Ca 0.39 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 2gbt s THR 116 Cb -0.03 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2gbt s THR 116 CO 0.24 0.56 0.35 -0.22 -0.69 0.00 0.00 174.62 174.87 2gbt s LEU 117 N -0.14 4.27 -0.04 4.42 2.96 -0.31 0.25 118.68 130.09 2gbt s LEU 117 Ca -0.02 0.63 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 2gbt s LEU 117 Cb -0.14 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 44.07 2gbt s LEU 117 CO 0.04 0.09 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.32 2gbt s VAL 118 N 0.37 1.25 -0.16 1.68 1.01 0.12 -1.71 120.40 122.95 2gbt s VAL 118 Ca 0.20 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2gbt s VAL 118 Cb -0.14 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2gbt s VAL 118 CO 0.06 0.36 0.01 0.54 0.00 0.00 0.00 175.10 176.08 2gbt s VAL 119 N 0.03 4.35 0.29 2.92 0.11 -0.63 -1.89 120.40 125.58 2gbt s VAL 119 Ca -0.02 -0.19 0.06 0.00 -2.93 0.00 0.00 61.98 58.89 2gbt s VAL 119 Cb -0.10 -2.93 -0.02 0.00 -1.53 0.00 0.00 36.38 31.80 2gbt s VAL 119 CO 0.01 0.49 0.38 -1.00 -3.33 0.00 0.00 175.10 171.65 2gbt s HIS 120 N 0.28 3.21 0.07 1.54 3.76 0.19 -1.23 115.29 123.12 2gbt s HIS 120 Ca 0.00 -0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.55 2gbt s HIS 120 Cb -0.13 -1.75 -0.12 0.00 1.11 0.00 0.00 32.58 31.68 2gbt s HIS 120 CO 0.02 0.23 1.61 1.49 -0.85 0.00 0.00 174.74 177.24 2gbt h GLU 121 N 1.10 0.16 -6.13 1.40 4.81 -1.16 -3.34 114.58 111.42 2gbt h GLU 121 Ca -0.48 -0.03 -0.52 0.00 -0.13 0.00 0.00 59.36 58.20 2gbt h GLU 121 Cb 1.24 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 2gbt h GLU 121 CO 0.57 0.27 -0.47 0.15 -0.73 0.00 0.00 179.01 178.80 2gbt s LYS 122 N -5.54 2.52 0.56 1.92 -0.14 -1.26 -4.81 119.74 112.99 2gbt s LYS 122 Ca -0.14 -1.48 -0.21 0.00 -1.36 0.00 0.00 55.97 52.79 2gbt s LYS 122 Cb 0.06 -2.31 -0.04 0.00 -1.68 0.00 0.00 37.83 33.86 2gbt s LYS 122 CO 0.69 0.03 1.26 0.00 -0.76 0.00 0.00 175.35 176.57 2gbt s ALA 123 N -2.40 2.70 -1.13 5.17 0.00 -1.16 -1.40 121.76 123.53 2gbt s ALA 123 Ca 0.41 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.29 2gbt s ALA 123 Cb -0.03 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.65 2gbt s ALA 123 CO 0.25 -1.19 1.59 0.34 0.00 0.00 0.00 175.76 176.76 2gbt s ASP 124 N -1.30 6.57 0.29 0.00 2.15 -1.26 -4.69 116.67 118.42 2gbt s ASP 124 Ca 0.73 -1.84 -0.06 0.00 0.43 0.00 0.00 52.55 51.81 2gbt s ASP 124 Cb -0.34 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.65 2gbt s ASP 124 CO 0.39 -1.44 -0.34 -1.54 -0.17 0.00 0.00 175.17 172.07 2gbt n SER 142 N 8.95 -1.29 -4.50 -0.34 3.41 -1.26 -5.03 113.62 113.55 2gbt n SER 142 Ca 0.40 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 2gbt n SER 142 Cb 0.49 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 2gbt n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gbt s ARG 143 N -0.57 3.27 0.06 4.33 0.52 -1.26 -0.56 118.95 124.74 2gbt s ARG 143 Ca 0.11 -0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 54.54 2gbt s ARG 143 Cb -0.01 -3.90 -0.28 0.00 0.52 0.00 0.00 34.95 31.28 2gbt s ARG 143 CO 0.21 -0.71 1.12 -0.07 0.02 0.00 0.00 175.30 175.87 2gbt h LEU 144 N 8.89 0.81 -7.00 2.53 3.38 -1.47 -3.47 115.31 118.97 2gbt h LEU 144 Ca -0.28 -0.75 0.04 0.00 0.09 0.00 0.00 57.88 56.98 2gbt h LEU 144 Cb 1.12 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.46 2gbt h LEU 144 CO 0.75 1.56 0.36 0.00 0.09 0.00 0.00 178.44 181.20 2gbt s ALA 145 N -2.95 -1.76 0.20 1.53 0.00 -1.20 -4.11 121.76 113.47 2gbt s ALA 145 Ca -0.08 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.66 2gbt s ALA 145 Cb 0.06 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2gbt s ALA 145 CO 0.92 -0.61 0.57 0.00 0.00 0.00 0.00 175.76 176.64 2gbt s GLY 147 N -2.86 -0.51 0.22 0.00 0.00 -0.69 -0.99 107.32 102.49 2gbt s GLY 147 Ca 0.08 1.58 -0.30 0.00 0.00 0.00 0.00 44.72 46.08 2gbt s GLY 147 CO -0.03 1.29 1.17 0.14 0.00 0.00 0.00 173.10 175.66 2gbt s VAL 148 N -0.33 3.51 -0.40 1.40 1.01 -1.26 -1.16 120.40 123.16 2gbt s VAL 148 Ca -0.05 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.05 2gbt s VAL 148 Cb -0.03 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2gbt s VAL 148 CO 0.05 0.26 0.85 -0.63 0.00 0.00 0.00 175.10 175.62 2gbt s ILE 149 N -0.48 4.63 0.25 2.22 1.01 0.97 -4.46 121.20 125.34 2gbt s ILE 149 Ca 0.50 0.84 0.09 0.00 0.00 0.00 0.00 60.65 62.08 2gbt s ILE 149 Cb -0.33 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2gbt s ILE 149 CO 0.39 -0.59 0.00 -0.83 0.00 0.00 0.00 174.94 173.91 2gbt s GLY 150 N 2.00 1.65 0.07 6.18 0.00 0.08 -0.32 107.32 116.98 2gbt s GLY 150 Ca 0.34 -1.60 -0.31 0.00 0.00 0.00 0.00 44.72 43.15 2gbt s GLY 150 CO 0.20 -1.65 1.50 -0.42 0.00 0.00 0.00 173.10 172.73 2gbt s ILE 151 N -2.21 3.28 0.23 0.90 1.01 -1.26 -0.88 121.20 122.27 2gbt s ILE 151 Ca 0.31 0.79 0.07 0.00 0.00 0.00 0.00 60.65 61.82 2gbt s ILE 151 Cb -0.07 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2gbt s ILE 151 CO 0.20 0.02 0.12 0.00 0.00 0.00 0.00 174.94 175.28 2gbt s ALA 152 N 2.02 3.44 -2.00 9.38 0.00 -0.49 -4.82 121.76 129.29 2gbt s ALA 152 Ca 0.68 -1.44 0.22 0.00 0.00 0.00 0.00 51.96 51.42 2gbt s ALA 152 Cb -0.37 -1.15 1.29 0.00 0.00 0.00 0.00 23.12 22.89 2gbt s ALA 152 CO 0.30 0.32 1.67 0.94 0.00 0.00 0.00 175.76 178.99