#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb n SER 2 N 0.00 1.91 -4.88 1.61 2.88 -1.26 -4.96 113.62 108.92 2gsb n SER 2 Ca 0.00 0.37 -0.30 0.00 -1.33 0.00 0.00 58.87 57.61 2gsb n SER 2 Cb 0.00 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2gsb n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2gsb s SER 3 N -7.07 6.28 0.00 -3.46 0.15 -1.26 -4.80 113.70 103.54 2gsb s SER 3 Ca -0.32 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2gsb s SER 3 Cb 0.09 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2gsb s SER 3 CO 0.57 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2gsb n GLY 4 N -2.44 0.48 4.01 9.45 0.00 -1.26 -5.14 105.19 110.29 2gsb n GLY 4 Ca 0.04 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2gsb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gsb s SER 5 N 0.00 5.25 1.15 1.61 1.04 -1.26 -5.09 113.70 116.40 2gsb s SER 5 Ca 0.00 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.54 2gsb s SER 5 Cb 0.00 -0.04 0.19 0.00 0.10 0.00 0.00 66.02 66.28 2gsb s SER 5 CO 0.00 -1.11 0.46 -1.54 0.98 0.00 0.00 173.24 172.03 2gsb n SER 6 N -2.06 -2.13 -4.57 7.02 3.41 -1.26 -5.00 113.62 109.02 2gsb n SER 6 Ca 0.12 -0.15 -0.27 0.00 -0.26 0.00 0.00 58.87 58.31 2gsb n SER 6 Cb 0.61 -1.09 0.12 0.00 -0.26 0.00 0.00 64.21 63.59 2gsb n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gsb s GLY 7 N -2.09 1.74 0.23 5.00 0.00 -1.26 -5.12 107.32 105.83 2gsb s GLY 7 Ca 0.62 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.04 2gsb s GLY 7 CO 0.66 -0.66 0.28 0.50 0.00 0.00 0.00 173.10 173.88 2gsb s ARG 8 N -5.46 1.40 0.99 2.90 1.81 -1.26 -5.17 118.95 114.16 2gsb s ARG 8 Ca 0.67 -1.53 -0.13 0.00 -1.72 0.00 0.00 55.73 53.03 2gsb s ARG 8 Cb -0.07 0.36 0.18 0.00 -0.45 0.00 0.00 34.95 34.97 2gsb s ARG 8 CO 0.48 -0.52 1.11 -1.21 -0.68 0.00 0.00 175.30 174.48 2gsb s GLU 9 N -4.00 0.51 0.38 3.54 2.02 -1.26 -5.08 118.70 114.81 2gsb s GLU 9 Ca 0.33 0.40 0.05 0.00 0.02 0.00 0.00 54.97 55.77 2gsb s GLU 9 Cb 0.04 -1.76 -0.06 0.00 0.10 0.00 0.00 34.13 32.45 2gsb s GLU 9 CO 0.12 -2.65 0.04 -1.83 0.02 0.00 0.00 175.26 170.97 2gsb s GLU 10 N -5.08 1.83 0.08 1.61 -1.05 -1.26 -5.16 118.70 109.67 2gsb s GLU 10 Ca 0.65 -2.05 0.06 0.00 -0.15 0.00 0.00 54.97 53.49 2gsb s GLU 10 Cb -0.17 -1.19 -0.03 0.00 -0.44 0.00 0.00 34.13 32.30 2gsb s GLU 10 CO 0.56 -0.17 -0.17 -0.51 0.95 0.00 0.00 175.26 175.92 2gsb s ASP 11 N -3.61 2.06 0.13 0.83 1.01 -1.26 -5.06 116.67 110.78 2gsb s ASP 11 Ca 0.33 -0.64 -0.12 0.00 0.71 0.00 0.00 52.55 52.83 2gsb s ASP 11 Cb 0.08 -0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.87 2gsb s ASP 11 CO 0.15 -0.01 1.46 1.55 0.21 0.00 0.00 175.17 178.53 2gsb h PRO 12 N 4.22 0.88 -0.60 8.23 0.13 -2.02 -3.06 132.00 139.79 2gsb h PRO 12 Ca -0.43 -0.47 0.13 0.00 -0.87 0.00 0.00 66.00 64.36 2gsb h PRO 12 Cb 1.19 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2gsb h PRO 12 CO 0.40 1.11 0.41 0.45 -0.23 0.00 0.00 178.00 180.14 2gsb h HIS 13 N 0.68 0.27 0.00 1.56 3.86 -1.98 0.36 115.15 119.90 2gsb h HIS 13 Ca 0.06 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2gsb h HIS 13 Cb 0.95 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2gsb h HIS 13 CO 0.07 0.12 0.00 -0.85 0.86 0.00 0.00 177.93 178.12 2gsb n GLU 14 N -4.44 0.16 0.03 2.45 -0.00 -1.16 -1.72 120.64 115.97 2gsb n GLU 14 Ca 0.11 0.47 0.12 0.00 -0.00 0.00 0.00 57.16 57.85 2gsb n GLU 14 Cb 0.49 -1.85 0.11 0.00 -0.00 0.00 0.00 31.44 30.19 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gsb n GLY 15 N -0.38 -1.28 3.71 -1.84 0.00 0.13 -4.94 105.19 100.58 2gsb n GLY 15 Ca 0.01 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2gsb n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gsb s LYS 16 N -3.15 1.52 -0.07 1.61 -0.14 -0.70 -4.97 119.74 113.84 2gsb s LYS 16 Ca 0.06 1.34 0.08 0.00 -1.36 0.00 0.00 55.97 56.09 2gsb s LYS 16 Cb 0.15 -1.80 -0.24 0.00 -1.68 0.00 0.00 37.83 34.26 2gsb s LYS 16 CO 0.76 -2.22 0.57 1.51 -0.76 0.00 0.00 175.35 175.21 2gsb n ILE 17 N -3.93 1.64 0.33 2.17 3.06 -1.26 -4.00 119.36 117.38 2gsb n ILE 17 Ca 0.10 -0.77 0.13 0.00 -2.50 0.00 0.00 62.75 59.71 2gsb n ILE 17 Cb 0.53 -1.18 0.27 0.00 0.54 0.00 0.00 39.64 39.80 2gsb n ILE 17 CO 0.00 0.00 0.00 4.11 -2.50 0.00 0.00 176.55 178.16 2gsb h TRP 18 N 0.02 0.00 -4.10 9.51 5.08 -1.93 -3.40 115.95 121.14 2gsb h TRP 18 Ca -0.33 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.15 2gsb h TRP 18 Cb 2.03 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 28.22 2gsb h TRP 18 CO 0.02 0.00 0.32 0.12 -1.28 0.00 0.00 178.44 177.61 2gsb s PHE 19 N -3.21 3.53 -0.15 0.12 5.36 -1.26 -1.05 117.98 121.32 2gsb s PHE 19 Ca 0.08 1.26 -0.13 0.00 -0.96 0.00 0.00 56.93 57.17 2gsb s PHE 19 Cb 0.07 -2.65 0.04 0.00 -0.34 0.00 0.00 43.02 40.14 2gsb s PHE 19 CO 0.64 -0.43 0.40 -1.01 -1.46 0.00 0.00 175.22 173.36 2gsb s HIS 20 N -2.79 -0.46 0.00 10.12 3.76 -0.42 -4.86 115.29 120.65 2gsb s HIS 20 Ca 0.55 1.09 0.00 0.00 -0.15 0.00 0.00 55.06 56.55 2gsb s HIS 20 Cb -0.10 0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.75 2gsb s HIS 20 CO 0.41 -0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 2gsb n GLY 21 N 3.08 0.05 0.30 -2.22 0.00 -1.26 -4.08 105.19 101.06 2gsb n GLY 21 Ca -0.15 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2gsb n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2gsb h LYS 22 N 0.00 0.54 -7.76 1.61 2.10 -2.00 -3.43 116.57 107.63 2gsb h LYS 22 Ca 0.00 -0.05 -0.44 0.00 -2.00 0.00 0.00 60.65 58.16 2gsb h LYS 22 Cb 0.00 -0.12 0.16 0.00 -0.90 0.00 0.00 32.23 31.38 2gsb h LYS 22 CO 0.00 0.39 0.39 0.96 -2.00 0.00 0.00 179.45 179.20 2gsb s ILE 23 N -5.41 1.96 0.22 0.07 -4.36 -1.26 -5.10 121.20 107.31 2gsb s ILE 23 Ca -0.08 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.38 2gsb s ILE 23 Cb 0.17 -2.94 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 2gsb s ILE 23 CO 0.74 0.00 -0.12 -0.55 0.24 0.00 0.00 174.94 175.25 2gsb s SER 24 N -4.75 2.52 0.08 4.36 0.15 -1.26 -4.99 113.70 109.81 2gsb s SER 24 Ca 0.72 -1.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.15 2gsb s SER 24 Cb -0.05 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 2gsb s SER 24 CO 0.53 -0.23 1.18 1.17 1.20 0.00 0.00 173.24 177.09 2gsb n LYS 25 N -0.41 -0.22 -0.31 5.44 0.00 -1.26 -0.32 118.16 121.07 2gsb n LYS 25 Ca -0.07 1.17 -0.02 0.00 0.00 0.00 0.00 58.31 59.39 2gsb n LYS 25 Cb 0.61 -1.73 0.04 0.00 0.00 0.00 0.00 35.03 33.95 2gsb n LYS 25 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2gsb h GLN 26 N 0.00 -0.05 0.05 1.64 7.50 -2.01 0.28 115.11 122.51 2gsb h GLN 26 Ca 0.08 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.26 2gsb h GLN 26 Cb 0.21 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.72 2gsb h GLN 26 CO -0.48 -0.04 -0.19 0.93 -1.50 0.00 0.00 178.83 177.56 2gsb h GLU 27 N -0.06 -0.32 -0.92 1.46 5.08 -1.07 -2.21 114.58 116.54 2gsb h GLU 27 Ca 0.32 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 59.03 2gsb h GLU 27 Cb 0.59 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.74 2gsb h GLU 27 CO -0.87 -0.21 0.30 0.00 -1.00 0.00 0.00 179.01 177.22 2gsb n ALA 28 N -2.51 0.75 0.16 3.43 0.00 0.33 -0.26 120.51 122.40 2gsb n ALA 28 Ca -0.06 0.96 -0.06 0.00 0.00 0.00 0.00 53.44 54.27 2gsb n ALA 28 Cb 0.23 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 2gsb n ALA 28 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2gsb h TYR 29 N 0.00 -0.39 -1.10 0.00 -1.99 -1.09 -2.06 116.97 110.34 2gsb h TYR 29 Ca 0.69 -0.01 0.30 0.00 2.00 0.00 0.00 58.73 61.71 2gsb h TYR 29 Cb 1.68 0.13 -0.09 0.00 2.00 0.00 0.00 36.73 40.45 2gsb h TYR 29 CO -0.20 -0.24 0.72 -0.97 -0.00 0.00 0.00 178.16 177.47 2gsb h ASN 30 N -0.50 0.35 0.30 3.88 -1.24 -0.99 0.13 115.58 117.50 2gsb h ASN 30 Ca -0.04 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2gsb h ASN 30 Cb 0.32 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2gsb h ASN 30 CO 0.07 0.04 -0.14 -0.07 -1.29 0.00 0.00 177.43 176.04 2gsb h LEU 31 N 0.29 -0.34 0.00 0.34 3.38 -0.54 -0.43 115.31 118.01 2gsb h LEU 31 Ca 0.62 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2gsb h LEU 31 Cb 1.76 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2gsb h LEU 31 CO -0.27 -0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.30 2gsb n LEU 32 N -5.21 0.00 -0.01 1.67 4.77 -0.07 0.21 117.00 118.37 2gsb n LEU 32 Ca -0.10 0.17 0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2gsb n LEU 32 Cb 0.21 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 40.99 2gsb n LEU 32 CO 0.34 -0.09 -0.68 0.23 -1.33 0.00 0.00 177.39 175.86 2gsb n MET 33 N -1.17 0.59 0.00 3.23 2.81 -0.62 -4.28 117.12 117.69 2gsb n MET 33 Ca 0.08 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2gsb n MET 33 Cb 0.08 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 2gsb n MET 33 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2gsb n THR 34 N -2.11 0.00 0.30 2.03 -2.24 -0.24 -4.79 114.28 107.24 2gsb n THR 34 Ca -0.03 0.01 0.18 0.00 -2.27 0.00 0.00 64.05 61.93 2gsb n THR 34 Cb 0.47 -0.79 0.79 0.00 -2.10 0.00 0.00 70.33 68.70 2gsb n THR 34 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2gsb h VAL 35 N 0.00 0.00 -2.45 2.28 -1.51 -1.30 -3.43 116.25 109.84 2gsb h VAL 35 Ca 0.00 -0.29 -0.52 0.00 -1.23 0.00 0.00 66.70 64.66 2gsb h VAL 35 Cb 0.00 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 30.33 2gsb h VAL 35 CO 0.00 0.00 -0.49 -0.83 -1.23 0.00 0.00 177.57 175.02 2gsb s GLY 36 N -4.02 1.54 0.50 5.19 0.00 0.13 -4.81 107.32 105.85 2gsb s GLY 36 Ca -0.00 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.56 2gsb s GLY 36 CO 0.46 -1.20 0.07 1.62 0.00 0.00 0.00 173.10 174.04 2gsb s GLN 37 N -3.48 2.18 0.00 2.90 0.74 -1.26 -4.36 119.66 116.38 2gsb s GLN 37 Ca 0.33 -2.29 0.08 0.00 0.05 0.00 0.00 55.36 53.53 2gsb s GLN 37 Cb -0.10 -1.64 0.36 0.00 1.10 0.00 0.00 33.01 32.73 2gsb s GLN 37 CO 0.27 -0.34 1.14 0.28 -0.55 0.00 0.00 175.29 176.09 2gsb n VAL 38 N -1.29 1.03 -1.97 1.34 0.31 -1.26 -1.80 118.33 114.70 2gsb n VAL 38 Ca -0.14 0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 64.37 2gsb n VAL 38 Cb 0.67 -1.13 0.10 0.00 -0.91 0.00 0.00 33.84 32.56 2gsb n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gsb s SER 40 N -3.35 0.82 0.33 0.00 0.01 -0.74 -2.60 113.70 108.17 2gsb s SER 40 Ca 0.42 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.53 2gsb s SER 40 Cb 0.38 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 2gsb s SER 40 CO -0.03 0.05 0.12 2.22 0.41 0.00 0.00 173.24 176.01 2gsb n PHE 41 N 2.70 0.10 -3.58 2.43 -1.74 -1.25 -3.41 117.46 112.72 2gsb n PHE 41 Ca -0.14 -2.13 -0.07 0.00 -0.56 0.00 0.00 57.45 54.54 2gsb n PHE 41 Cb 0.57 -0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.55 2gsb n PHE 41 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2gsb s LEU 42 N 0.00 -0.34 -0.08 5.98 0.05 -1.09 -1.32 118.68 121.88 2gsb s LEU 42 Ca 0.17 -0.15 0.02 0.00 0.05 0.00 0.00 54.13 54.22 2gsb s LEU 42 Cb 0.01 2.20 0.01 0.00 -2.05 0.00 0.00 46.19 46.36 2gsb s LEU 42 CO 0.12 -0.80 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.29 2gsb s VAL 43 N -3.32 1.25 0.02 1.48 1.01 -0.21 -2.19 120.40 118.44 2gsb s VAL 43 Ca 0.07 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2gsb s VAL 43 Cb -0.01 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2gsb s VAL 43 CO -0.05 0.38 -0.12 0.00 0.00 0.00 0.00 175.10 175.31 2gsb s ARG 44 N 0.76 0.89 -0.01 2.72 1.70 -1.06 -1.29 118.95 122.65 2gsb s ARG 44 Ca -0.12 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.22 2gsb s ARG 44 Cb -0.16 -0.87 -0.05 0.00 -0.57 0.00 0.00 34.95 33.30 2gsb s ARG 44 CO 0.03 0.22 1.46 -1.25 -1.08 0.00 0.00 175.30 174.68 2gsb s PRO 45 N -0.83 4.25 1.27 3.89 0.04 -1.26 -2.09 135.00 140.27 2gsb s PRO 45 Ca 0.02 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 2gsb s PRO 45 Cb -0.07 -3.66 0.30 0.00 0.04 0.00 0.00 34.50 31.11 2gsb s PRO 45 CO 0.01 -0.65 0.79 0.45 0.04 0.00 0.00 177.00 177.63 2gsb n SER 46 N 5.79 -2.77 -0.01 6.66 2.88 -0.79 -4.96 113.62 120.43 2gsb n SER 46 Ca 0.14 -0.43 -0.01 0.00 -1.33 0.00 0.00 58.87 57.24 2gsb n SER 46 Cb 0.43 -1.10 -0.01 0.00 -0.75 0.00 0.00 64.21 62.79 2gsb n SER 46 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gsb n ASP 47 N -4.60 1.49 0.27 -3.46 -0.08 -1.26 -4.79 116.55 104.11 2gsb n ASP 47 Ca 0.06 0.01 -0.15 0.00 -1.51 0.00 0.00 54.79 53.20 2gsb n ASP 47 Cb 0.56 -0.03 -0.08 0.00 2.34 0.00 0.00 41.12 43.91 2gsb n ASP 47 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2gsb h ASN 48 N -0.03 -0.59 -3.26 1.67 4.21 -2.01 -3.42 115.58 112.15 2gsb h ASN 48 Ca -0.03 -0.06 -0.56 0.00 1.21 0.00 0.00 56.30 56.85 2gsb h ASN 48 Cb 1.04 0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 38.34 2gsb h ASN 48 CO -0.02 -0.25 0.54 -0.89 -1.29 0.00 0.00 177.43 175.52 2gsb s THR 49 N -4.97 4.80 -0.46 2.81 2.01 -1.26 -4.98 115.64 113.59 2gsb s THR 49 Ca -0.15 1.97 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 2gsb s THR 49 Cb 0.02 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2gsb s THR 49 CO 0.52 0.00 1.77 -2.16 -0.69 0.00 0.00 174.62 174.05 2gsb s PRO 50 N 2.09 3.08 0.00 4.92 0.04 -1.26 -3.27 135.00 140.59 2gsb s PRO 50 Ca 0.46 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2gsb s PRO 50 Cb -0.18 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2gsb s PRO 50 CO 0.16 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.43 2gsb n GLY 51 N 5.49 0.53 3.54 0.56 0.00 -1.26 -5.07 105.19 108.98 2gsb n GLY 51 Ca 0.21 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2gsb n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gsb s ASP 52 N -2.71 3.14 0.03 1.61 2.15 -1.20 -4.60 116.67 115.09 2gsb s ASP 52 Ca 0.00 -1.41 -0.00 0.00 0.43 0.00 0.00 52.55 51.57 2gsb s ASP 52 Cb 0.00 -0.15 -0.02 0.00 -0.30 0.00 0.00 42.92 42.45 2gsb s ASP 52 CO 0.00 -0.57 -0.03 -0.31 -0.17 0.00 0.00 175.17 174.08 2gsb s TYR 53 N -3.02 0.35 -0.01 -5.34 2.02 -1.09 -1.88 117.35 108.37 2gsb s TYR 53 Ca 0.33 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2gsb s TYR 53 Cb 0.09 -0.25 0.01 0.00 -0.40 0.00 0.00 41.96 41.41 2gsb s TYR 53 CO 0.16 -0.22 -0.01 -1.12 -1.57 0.00 0.00 175.55 172.78 2gsb s SER 54 N -1.81 0.31 0.02 2.29 0.01 -0.89 -0.70 113.70 112.93 2gsb s SER 54 Ca -0.10 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.04 2gsb s SER 54 Cb -0.06 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 2gsb s SER 54 CO -0.03 -0.04 0.32 -0.22 0.41 0.00 0.00 173.24 173.68 2gsb s LEU 55 N 0.48 4.38 -0.22 2.44 2.96 -1.20 -2.57 118.68 124.95 2gsb s LEU 55 Ca -0.04 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.52 2gsb s LEU 55 Cb -0.07 -2.71 0.06 0.00 0.50 0.00 0.00 46.19 43.97 2gsb s LEU 55 CO -0.01 0.25 0.01 -0.31 -1.32 0.00 0.00 176.35 174.97 2gsb s TYR 56 N -1.28 1.52 0.10 5.38 1.51 -0.93 -1.83 117.35 121.82 2gsb s TYR 56 Ca 0.28 -1.21 0.09 0.00 -1.01 0.00 0.00 57.07 55.21 2gsb s TYR 56 Cb -0.14 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 2gsb s TYR 56 CO 0.15 -0.68 -0.18 0.12 -1.11 0.00 0.00 175.55 173.85 2gsb s PHE 57 N 1.69 2.54 -0.18 2.71 5.36 -1.24 -2.68 117.98 126.17 2gsb s PHE 57 Ca -0.02 -0.26 -0.08 0.00 -0.96 0.00 0.00 56.93 55.61 2gsb s PHE 57 Cb -0.18 -1.37 -0.04 0.00 -0.34 0.00 0.00 43.02 41.09 2gsb s PHE 57 CO -0.09 0.36 0.10 0.50 -1.46 0.00 0.00 175.22 174.63 2gsb s ARG 58 N -2.02 4.03 0.18 10.12 6.06 -1.22 -1.05 118.95 135.04 2gsb s ARG 58 Ca 0.17 -0.27 0.04 0.00 -2.50 0.00 0.00 55.73 53.17 2gsb s ARG 58 Cb -0.11 -3.30 -0.05 0.00 0.06 0.00 0.00 34.95 31.56 2gsb s ARG 58 CO 0.09 0.33 -0.08 0.95 -2.50 0.00 0.00 175.30 174.09 2gsb s THR 59 N 0.25 1.17 0.32 4.11 -4.23 -1.25 -4.27 115.64 111.74 2gsb s THR 59 Ca 0.06 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 2gsb s THR 59 Cb -0.12 -2.01 0.31 0.00 1.34 0.00 0.00 72.50 72.02 2gsb s THR 59 CO -0.01 -0.61 1.73 -0.55 -0.54 0.00 0.00 174.62 174.64 2gsb h ASN 60 N 2.67 0.65 0.00 3.99 7.08 -1.99 -3.07 115.58 124.91 2gsb h ASN 60 Ca -0.37 0.14 0.00 0.00 -3.08 0.00 0.00 56.30 52.98 2gsb h ASN 60 Cb 1.20 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 2gsb h ASN 60 CO 0.64 0.10 0.00 -0.62 -2.08 0.00 0.00 177.43 175.47 2gsb n GLU 61 N -4.90 0.00 -3.48 4.14 -0.58 -1.26 -5.03 120.64 109.53 2gsb n GLU 61 Ca 0.26 0.28 -0.11 0.00 -0.42 0.00 0.00 57.16 57.18 2gsb n GLU 61 Cb 0.73 -0.98 -0.02 0.00 -0.57 0.00 0.00 31.44 30.60 2gsb n GLU 61 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2gsb s ASN 62 N -2.07 -0.49 0.16 1.62 0.02 -1.16 -5.13 114.94 107.88 2gsb s ASN 62 Ca 0.00 -0.05 -0.31 0.00 -1.02 0.00 0.00 52.86 51.47 2gsb s ASN 62 Cb 0.00 0.56 -0.11 0.00 0.02 0.00 0.00 41.25 41.72 2gsb s ASN 62 CO 0.00 -0.91 1.74 -0.63 0.02 0.00 0.00 177.10 177.32 2gsb s ILE 63 N -3.60 2.40 0.65 0.60 1.01 -1.26 -3.83 121.20 117.18 2gsb s ILE 63 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 2gsb s ILE 63 Cb -0.01 -3.08 0.08 0.00 0.01 0.00 0.00 42.46 39.45 2gsb s ILE 63 CO -0.10 0.00 0.92 -1.10 0.00 0.00 0.00 174.94 174.66 2gsb s GLN 64 N 1.93 2.10 -0.18 2.79 -0.21 -0.22 -4.96 119.66 120.92 2gsb s GLN 64 Ca 0.77 -0.80 -0.05 0.00 0.02 0.00 0.00 55.36 55.30 2gsb s GLN 64 Cb -0.47 -2.35 0.09 0.00 1.00 0.00 0.00 33.01 31.28 2gsb s GLN 64 CO 0.34 -1.14 0.32 0.50 -2.12 0.00 0.00 175.29 173.19 2gsb s ARG 65 N -5.03 0.23 0.38 2.91 3.52 -1.26 -3.58 118.95 116.12 2gsb s ARG 65 Ca 0.62 0.71 0.07 0.00 -0.13 0.00 0.00 55.73 57.00 2gsb s ARG 65 Cb -0.08 -0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.12 2gsb s ARG 65 CO 0.42 -0.39 0.49 -0.06 -0.81 0.00 0.00 175.30 174.95 2gsb s PHE 66 N 2.48 2.93 -0.15 5.12 0.40 -0.76 -4.95 117.98 123.04 2gsb s PHE 66 Ca 0.03 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2gsb s PHE 66 Cb -0.13 -2.17 0.02 0.00 0.51 0.00 0.00 43.02 41.25 2gsb s PHE 66 CO -0.11 -0.19 -0.15 0.15 0.70 0.00 0.00 175.22 175.62 2gsb s LYS 67 N -4.24 2.36 -0.62 0.44 1.02 -1.26 -3.23 119.74 114.22 2gsb s LYS 67 Ca 0.50 -0.58 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 2gsb s LYS 67 Cb -0.09 -2.14 0.16 0.00 -0.52 0.00 0.00 37.83 35.24 2gsb s LYS 67 CO 0.31 -0.23 0.46 0.42 -0.92 0.00 0.00 175.35 175.40 2gsb s ILE 68 N 1.45 4.13 -0.02 2.17 1.01 0.12 -4.14 121.20 125.92 2gsb s ILE 68 Ca 0.05 -2.57 -0.21 0.00 0.00 0.00 0.00 60.65 57.91 2gsb s ILE 68 Cb -0.13 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2gsb s ILE 68 CO -0.11 -0.87 0.61 0.00 0.00 0.00 0.00 174.94 174.57 2gsb s PRO 70 N -0.00 4.43 0.11 0.00 0.04 -1.26 -1.48 135.00 136.83 2gsb s PRO 70 Ca 0.32 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.46 2gsb s PRO 70 Cb -0.18 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2gsb s PRO 70 CO 0.17 -0.13 0.02 0.95 0.04 0.00 0.00 177.00 178.05 2gsb s THR 71 N -0.59 4.07 -0.18 1.26 -4.23 -0.88 -4.91 115.64 110.18 2gsb s THR 71 Ca 0.51 -1.03 0.29 0.00 -1.18 0.00 0.00 61.69 60.28 2gsb s THR 71 Cb -0.37 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 70.83 2gsb s THR 71 CO 0.44 0.07 1.85 1.55 -0.54 0.00 0.00 174.62 177.99 2gsb h PRO 72 N 3.24 0.00 -1.40 3.99 0.13 -1.96 -3.10 132.00 132.89 2gsb h PRO 72 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 2gsb h PRO 72 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 2gsb h PRO 72 CO 0.60 0.00 0.37 0.09 -0.23 0.00 0.00 178.00 178.84 2gsb n ASN 73 N -2.65 5.63 -4.01 1.44 4.13 -1.26 -4.84 115.26 113.70 2gsb n ASN 73 Ca 0.01 -2.96 -0.32 0.00 1.68 0.00 0.00 54.58 53.00 2gsb n ASN 73 Cb 0.26 -0.96 -0.02 0.00 -1.54 0.00 0.00 39.78 37.52 2gsb n ASN 73 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2gsb n ASN 74 N 0.23 -1.65 -2.06 6.41 2.85 -1.17 -4.94 115.26 114.92 2gsb n ASN 74 Ca 0.28 -1.13 -0.08 0.00 -0.11 0.00 0.00 54.58 53.55 2gsb n ASN 74 Cb 0.69 -2.52 -0.02 0.00 1.24 0.00 0.00 39.78 39.17 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2gsb n GLN 75 N -4.53 0.35 -4.20 1.20 6.02 -1.24 -4.84 117.38 110.15 2gsb n GLN 75 Ca -0.24 -1.50 -0.18 0.00 -0.01 0.00 0.00 57.00 55.07 2gsb n GLN 75 Cb 0.65 1.41 -0.15 0.00 1.02 0.00 0.00 30.24 33.17 2gsb n GLN 75 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gsb s PHE 76 N -3.75 0.65 -0.33 1.08 0.08 -0.52 -2.06 117.98 113.13 2gsb s PHE 76 Ca 0.16 -0.15 -0.13 0.00 0.12 0.00 0.00 56.93 56.93 2gsb s PHE 76 Cb -0.00 -0.51 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 2gsb s PHE 76 CO 0.11 -0.10 0.26 -1.64 -0.10 0.00 0.00 175.22 173.76 2gsb s MET 77 N 0.39 3.58 -0.52 0.44 -1.94 -0.55 -1.07 119.30 119.62 2gsb s MET 77 Ca -0.05 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.42 2gsb s MET 77 Cb -0.09 -3.79 0.14 0.00 2.01 0.00 0.00 34.83 33.11 2gsb s MET 77 CO -0.00 -0.43 0.30 1.41 -0.01 0.00 0.00 175.02 176.30 2gsb s MET 78 N 1.80 1.72 -0.20 2.03 1.75 0.53 -2.29 119.30 124.63 2gsb s MET 78 Ca 0.08 -2.48 -0.01 0.00 -1.25 0.00 0.00 55.69 52.02 2gsb s MET 78 Cb -0.17 -2.80 -0.01 0.00 2.84 0.00 0.00 34.83 34.69 2gsb s MET 78 CO 0.11 -1.19 0.17 0.41 -0.65 0.00 0.00 175.02 173.87 2gsb n GLY 79 N 3.03 0.52 2.42 2.11 0.00 -1.26 -3.79 105.19 108.23 2gsb n GLY 79 Ca 0.11 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2gsb n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsb n GLY 80 N -1.43 0.14 2.90 -0.02 0.00 -1.26 -4.96 105.19 100.55 2gsb n GLY 80 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2gsb n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb s ARG 81 N -4.65 0.46 0.22 1.61 1.81 -1.25 -5.15 118.95 112.00 2gsb s ARG 81 Ca 0.00 -0.08 -0.06 0.00 -1.72 0.00 0.00 55.73 53.87 2gsb s ARG 81 Cb 0.00 -0.51 -0.06 0.00 -0.45 0.00 0.00 34.95 33.93 2gsb s ARG 81 CO 0.00 -0.01 0.49 0.71 -0.68 0.00 0.00 175.30 175.80 2gsb s TYR 82 N 0.47 3.46 0.08 -0.53 2.02 -1.26 -0.35 117.35 121.24 2gsb s TYR 82 Ca -0.05 0.67 -0.09 0.00 -0.37 0.00 0.00 57.07 57.23 2gsb s TYR 82 Cb -0.09 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 2gsb s TYR 82 CO -0.01 0.30 0.20 0.71 -1.57 0.00 0.00 175.55 175.18 2gsb s TYR 83 N -1.85 0.11 0.01 2.71 1.51 -0.23 -4.94 117.35 114.66 2gsb s TYR 83 Ca 0.44 -0.47 -0.25 0.00 -1.01 0.00 0.00 57.07 55.78 2gsb s TYR 83 Cb -0.11 -0.04 -0.19 0.00 -0.11 0.00 0.00 41.96 41.51 2gsb s TYR 83 CO 0.25 -0.52 1.38 -0.91 -1.11 0.00 0.00 175.55 174.65 2gsb h ASN 84 N 2.93 0.03 -4.73 2.29 2.35 -1.88 -1.39 115.58 115.18 2gsb h ASN 84 Ca -0.33 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.03 2gsb h ASN 84 Cb 1.20 -0.01 -0.19 0.00 0.05 0.00 0.00 38.32 39.37 2gsb h ASN 84 CO 0.54 0.40 0.31 -0.44 -1.65 0.00 0.00 177.43 176.58 2gsb s SER 85 N -5.61 -0.55 0.09 5.81 0.01 -1.26 -4.50 113.70 107.69 2gsb s SER 85 Ca -0.15 0.52 -0.17 0.00 1.31 0.00 0.00 55.95 57.46 2gsb s SER 85 Cb 0.03 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2gsb s SER 85 CO 0.68 -0.57 1.00 -0.38 0.41 0.00 0.00 173.24 174.38 2gsb n ILE 86 N 0.67 -0.37 -0.33 1.44 5.41 -1.26 0.16 119.36 125.09 2gsb n ILE 86 Ca -0.16 1.55 0.27 0.00 1.00 0.00 0.00 62.75 65.41 2gsb n ILE 86 Cb 0.58 -1.95 0.50 0.00 -0.71 0.00 0.00 39.64 38.07 2gsb n ILE 86 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2gsb h GLY 87 N 0.00 2.02 0.77 7.39 0.00 -2.01 0.16 103.07 111.40 2gsb h GLY 87 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2gsb h GLY 87 CO -0.51 -0.68 -0.14 -1.80 0.00 0.00 0.00 176.54 173.41 2gsb h ASP 88 N 0.07 -0.34 -0.99 0.19 3.58 0.11 -2.71 116.42 116.33 2gsb h ASP 88 Ca 0.77 -0.13 0.41 0.00 0.42 0.00 0.00 57.03 58.50 2gsb h ASP 88 Cb 1.91 0.09 -0.18 0.00 1.72 0.00 0.00 39.33 42.87 2gsb h ASP 88 CO -0.76 -0.05 0.53 -0.38 -2.88 0.00 0.00 179.24 175.69 2gsb n ILE 89 N -5.17 -0.42 0.05 2.25 5.41 0.56 -1.35 119.36 120.70 2gsb n ILE 89 Ca -0.10 2.02 -0.02 0.00 1.00 0.00 0.00 62.75 65.65 2gsb n ILE 89 Cb 0.24 -3.27 -0.01 0.00 -0.71 0.00 0.00 39.64 35.89 2gsb n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2gsb h ILE 90 N 0.00 0.00 -1.53 1.39 2.04 -1.35 -2.62 117.51 115.44 2gsb h ILE 90 Ca 0.84 -0.14 0.47 0.00 1.00 0.00 0.00 64.86 67.02 2gsb h ILE 90 Cb 2.21 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 2gsb h ILE 90 CO -0.77 0.00 1.07 0.47 0.00 0.00 0.00 178.15 178.92 2gsb n ASP 91 N -2.80 0.06 0.06 1.72 9.92 -0.58 0.73 116.55 125.67 2gsb n ASP 91 Ca -0.02 0.97 -0.09 0.00 -0.53 0.00 0.00 54.79 55.12 2gsb n ASP 91 Cb 0.06 -0.48 -0.06 0.00 -0.64 0.00 0.00 41.12 40.00 2gsb n ASP 91 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2gsb h HIS 92 N 0.00 -0.23 -0.44 1.24 -0.00 -1.23 -3.25 115.15 111.24 2gsb h HIS 92 Ca 0.79 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 61.29 2gsb h HIS 92 Cb 2.98 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 30.45 2gsb h HIS 92 CO -0.00 0.15 0.32 1.88 -0.00 0.00 0.00 177.93 180.28 2gsb h TYR 93 N -0.94 0.00 -0.91 5.26 0.05 0.71 -0.39 116.97 120.75 2gsb h TYR 93 Ca -0.02 0.00 0.23 0.00 0.05 0.00 0.00 58.73 58.99 2gsb h TYR 93 Cb 0.48 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.16 2gsb h TYR 93 CO 0.07 0.00 0.62 0.00 -1.05 0.00 0.00 178.16 177.80 2gsb h ARG 94 N 0.00 0.23 0.00 4.88 3.08 -1.09 -0.01 114.38 121.47 2gsb h ARG 94 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2gsb h ARG 94 Cb 0.86 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2gsb h ARG 94 CO -0.00 0.15 -1.29 0.36 -1.07 0.00 0.00 179.97 178.12 2gsb n LYS 95 N -4.42 1.09 -4.59 0.04 2.85 -0.24 -4.70 118.16 108.18 2gsb n LYS 95 Ca 0.19 -0.08 -0.33 0.00 -1.05 0.00 0.00 58.31 57.05 2gsb n LYS 95 Cb 0.82 -1.32 -0.16 0.00 -0.65 0.00 0.00 35.03 33.72 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2gsb s GLU 96 N -2.83 3.07 -0.19 -1.58 2.02 -0.02 -5.07 118.70 114.09 2gsb s GLU 96 Ca -0.01 -0.83 -0.34 0.00 0.02 0.00 0.00 54.97 53.82 2gsb s GLU 96 Cb 0.11 -2.49 -0.11 0.00 0.10 0.00 0.00 34.13 31.74 2gsb s GLU 96 CO 0.66 -0.02 2.00 0.00 0.02 0.00 0.00 175.26 177.91 2gsb n GLN 97 N 4.11 1.78 0.21 1.61 10.64 -1.26 -4.30 117.38 130.17 2gsb n GLN 97 Ca -0.20 0.60 0.08 0.00 -1.83 0.00 0.00 57.00 55.66 2gsb n GLN 97 Cb 0.51 -2.64 0.39 0.00 -0.86 0.00 0.00 30.24 27.64 2gsb n GLN 97 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 2gsb h ILE 98 N 6.11 0.63 -4.62 -0.39 2.10 -1.66 -3.46 117.51 116.21 2gsb h ILE 98 Ca -0.42 -1.30 -0.33 0.00 1.08 0.00 0.00 64.86 63.89 2gsb h ILE 98 Cb 1.28 1.87 -0.06 0.00 -1.09 0.00 0.00 36.82 38.82 2gsb h ILE 98 CO 0.97 0.27 -0.23 0.52 -1.08 0.00 0.00 178.15 178.60 2gsb n VAL 99 N -3.39 0.00 -0.46 2.19 0.31 -1.10 -5.01 118.33 110.88 2gsb n VAL 99 Ca 0.00 -1.21 -0.04 0.00 -0.01 0.00 0.00 64.34 63.08 2gsb n VAL 99 Cb 0.48 0.15 0.01 0.00 -0.91 0.00 0.00 33.84 33.57 2gsb n VAL 99 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2gsb n GLU 100 N -0.75 1.18 0.00 5.55 0.28 -1.26 -3.97 120.64 121.67 2gsb n GLU 100 Ca -0.09 -0.35 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 2gsb n GLU 100 Cb 0.33 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.06 2gsb n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gsb n GLY 101 N 1.15 0.00 3.34 -1.84 0.00 -1.26 -5.16 105.19 101.42 2gsb n GLY 101 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2gsb n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gsb s TYR 102 N 0.00 -0.50 0.47 1.61 1.51 -1.25 -5.12 117.35 114.07 2gsb s TYR 102 Ca 0.00 1.21 0.05 0.00 -1.01 0.00 0.00 57.07 57.32 2gsb s TYR 102 Cb 0.00 0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 42.00 2gsb s TYR 102 CO 0.00 -0.24 0.16 0.71 -1.11 0.00 0.00 175.55 175.07 2gsb s TYR 103 N 0.28 2.17 -0.44 2.71 1.51 -1.26 -2.14 117.35 120.18 2gsb s TYR 103 Ca -0.00 -0.76 -0.14 0.00 -1.01 0.00 0.00 57.07 55.16 2gsb s TYR 103 Cb -0.03 -1.83 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 2gsb s TYR 103 CO 0.00 0.08 0.34 -0.51 -1.11 0.00 0.00 175.55 174.36 2gsb s LEU 104 N -3.96 5.37 0.00 -1.29 1.43 -1.26 -4.81 118.68 114.16 2gsb s LEU 104 Ca 0.29 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2gsb s LEU 104 Cb 0.03 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2gsb s LEU 104 CO 0.16 -0.56 0.00 0.29 0.23 0.00 0.00 176.35 176.47 2gsb n LYS 105 N 5.15 0.00 -3.83 1.70 4.76 -1.07 -4.63 118.16 120.24 2gsb n LYS 105 Ca -0.12 0.30 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2gsb n LYS 105 Cb 0.45 -0.79 -0.11 0.00 -1.84 0.00 0.00 35.03 32.73 2gsb n LYS 105 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2gsb s GLU 106 N -0.64 0.32 0.94 1.97 -1.05 -1.12 -5.07 118.70 114.06 2gsb s GLU 106 Ca 0.00 0.04 -0.12 0.00 -0.15 0.00 0.00 54.97 54.74 2gsb s GLU 106 Cb 0.00 0.14 0.15 0.00 -0.44 0.00 0.00 34.13 33.99 2gsb s GLU 106 CO 0.00 -0.06 1.09 -1.25 0.95 0.00 0.00 175.26 175.99 2gsb s PRO 107 N -0.42 0.90 -0.09 -4.83 0.04 -1.26 -3.80 135.00 125.53 2gsb s PRO 107 Ca -0.05 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 2gsb s PRO 107 Cb -0.03 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2gsb s PRO 107 CO 0.01 -2.45 1.17 0.08 0.04 0.00 0.00 177.00 175.84 2gsb s VAL 108 N -2.95 4.38 0.48 -0.36 1.01 -0.44 -4.80 120.40 117.72 2gsb s VAL 108 Ca 0.64 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 64.09 2gsb s VAL 108 Cb -0.18 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 2gsb s VAL 108 CO 0.57 -0.04 1.16 -2.16 0.00 0.00 0.00 175.10 174.63 2gsb s PRO 109 N 2.46 3.68 0.68 2.72 0.04 -1.26 -4.45 135.00 138.87 2gsb s PRO 109 Ca 0.53 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 2gsb s PRO 109 Cb -0.22 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.00 2gsb s PRO 109 CO 0.19 -0.61 1.13 -1.64 0.04 0.00 0.00 177.00 176.10 2gsb s MET 110 N -2.81 2.62 -0.94 4.56 -1.94 -1.26 -4.97 119.30 114.55 2gsb s MET 110 Ca 0.65 1.44 -0.12 0.00 -1.71 0.00 0.00 55.69 55.95 2gsb s MET 110 Cb -0.28 -1.92 0.24 0.00 2.01 0.00 0.00 34.83 34.88 2gsb s MET 110 CO 0.33 -1.40 0.92 -0.65 -0.01 0.00 0.00 175.02 174.21 2gsb s GLN 111 N -4.12 3.83 0.97 2.03 -1.52 -1.26 -5.05 119.66 114.54 2gsb s GLN 111 Ca 0.68 -2.71 -0.14 0.00 -1.95 0.00 0.00 55.36 51.23 2gsb s GLN 111 Cb -0.22 -4.51 -0.02 0.00 -0.22 0.00 0.00 33.01 28.04 2gsb s GLN 111 CO 0.43 -1.31 0.01 -0.40 -0.25 0.00 0.00 175.29 173.78 2gsb n ASP 112 N 3.66 -3.30 -4.35 5.90 5.68 -1.26 -4.95 116.55 117.93 2gsb n ASP 112 Ca 0.18 0.27 -0.38 0.00 -0.50 0.00 0.00 54.79 54.36 2gsb n ASP 112 Cb 0.44 -1.06 -0.12 0.00 -1.14 0.00 0.00 41.12 39.24 2gsb n ASP 112 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gsb s GLN 113 N -3.12 2.98 -0.66 0.11 -2.07 -1.26 -5.03 119.66 110.62 2gsb s GLN 113 Ca 0.51 -0.94 0.05 0.00 -1.82 0.00 0.00 55.36 53.16 2gsb s GLN 113 Cb -0.20 -3.47 0.17 0.00 -1.09 0.00 0.00 33.01 28.42 2gsb s GLN 113 CO 0.72 -0.53 0.47 0.45 -1.32 0.00 0.00 175.29 175.08 2gsb s SER 114 N 1.50 4.29 0.00 12.60 0.15 -1.26 -5.04 113.70 125.94 2gsb s SER 114 Ca 0.02 -3.72 0.00 0.00 0.70 0.00 0.00 55.95 52.95 2gsb s SER 114 Cb -0.18 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2gsb s SER 114 CO 0.04 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2gsb n GLY 115 N 2.13 -1.73 3.73 9.45 0.00 -1.26 -4.94 105.19 112.57 2gsb n GLY 115 Ca 0.21 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2gsb n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gsb s PRO 116 N -4.55 4.38 1.37 1.61 0.04 -1.26 -5.02 135.00 131.57 2gsb s PRO 116 Ca 0.00 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 2gsb s PRO 116 Cb 0.00 -3.21 0.35 0.00 0.04 0.00 0.00 34.50 31.68 2gsb s PRO 116 CO 0.00 -0.29 0.95 -1.54 0.04 0.00 0.00 177.00 176.16 2gsb s SER 117 N 0.54 -0.65 1.07 6.66 1.04 -1.26 -4.95 113.70 116.16 2gsb s SER 117 Ca 0.58 1.01 -0.22 0.00 0.48 0.00 0.00 55.95 57.80 2gsb s SER 117 Cb -0.36 -1.47 -0.01 0.00 0.10 0.00 0.00 66.02 64.28 2gsb s SER 117 CO 0.36 -5.13 -0.54 -1.54 0.98 0.00 0.00 173.24 167.37 2gsb n SER 118 N -5.49 -2.69 0.00 7.02 3.41 -1.26 -5.27 113.62 109.33 2gsb n SER 118 Ca 0.10 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2gsb n SER 118 Cb 0.59 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2gsb n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49