#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb s SER 2 N 0.00 -0.42 0.03 1.61 0.15 -1.26 -5.13 113.70 108.69 2gsb s SER 2 Ca 0.00 0.51 -0.32 0.00 0.70 0.00 0.00 55.95 56.84 2gsb s SER 2 Cb 0.00 0.41 -0.11 0.00 -1.71 0.00 0.00 66.02 64.61 2gsb s SER 2 CO 0.00 -0.35 1.87 -0.24 1.20 0.00 0.00 173.24 175.72 2gsb n SER 3 N 0.95 3.82 -1.23 5.45 2.88 -1.26 -4.59 113.62 119.64 2gsb n SER 3 Ca -0.12 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2gsb n SER 3 Cb 0.57 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2gsb n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gsb n GLY 4 N 4.32 -4.04 1.57 0.46 0.00 -1.26 -5.03 105.19 101.20 2gsb n GLY 4 Ca 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2gsb n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2gsb n SER 5 N -1.61 0.04 -4.69 1.61 2.88 -1.26 -5.10 113.62 105.49 2gsb n SER 5 Ca 0.00 0.04 -0.30 0.00 -1.33 0.00 0.00 58.87 57.27 2gsb n SER 5 Cb 0.18 0.01 0.15 0.00 -0.75 0.00 0.00 64.21 63.80 2gsb n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2gsb s SER 6 N -5.04 3.31 0.00 -3.46 0.15 -1.26 -4.86 113.70 102.54 2gsb s SER 6 Ca 0.00 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2gsb s SER 6 Cb 0.00 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2gsb s SER 6 CO 0.00 -2.79 0.00 0.61 1.20 0.00 0.00 173.24 172.26 2gsb n GLY 7 N -0.48 0.25 3.48 9.45 0.00 -1.26 -5.13 105.19 111.49 2gsb n GLY 7 Ca 0.09 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2gsb n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb s ARG 8 N 0.00 3.56 0.39 1.61 0.52 -1.26 -5.09 118.95 118.68 2gsb s ARG 8 Ca 0.00 -0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 54.57 2gsb s ARG 8 Cb 0.00 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.89 2gsb s ARG 8 CO 0.00 -0.31 0.71 -1.21 0.02 0.00 0.00 175.30 174.52 2gsb s GLU 9 N 1.65 3.68 -0.10 3.54 8.01 -1.26 -5.08 118.70 129.14 2gsb s GLU 9 Ca 0.06 0.27 -0.03 0.00 0.01 0.00 0.00 54.97 55.27 2gsb s GLU 9 Cb -0.16 -2.46 -0.03 0.00 -4.31 0.00 0.00 34.13 27.16 2gsb s GLU 9 CO 0.07 -0.00 0.03 -1.83 0.01 0.00 0.00 175.26 173.53 2gsb s GLU 10 N -3.98 3.15 0.19 1.61 -1.05 -1.26 -5.12 118.70 112.24 2gsb s GLU 10 Ca 0.48 -0.35 0.05 0.00 -0.15 0.00 0.00 54.97 55.01 2gsb s GLU 10 Cb -0.10 -2.90 -0.05 0.00 -0.44 0.00 0.00 34.13 30.64 2gsb s GLU 10 CO 0.34 0.68 -0.09 -0.51 0.95 0.00 0.00 175.26 176.63 2gsb s ASP 11 N -0.81 2.09 0.11 0.83 1.11 -1.26 -5.06 116.67 113.67 2gsb s ASP 11 Ca 0.13 -1.06 -0.14 0.00 0.18 0.00 0.00 52.55 51.65 2gsb s ASP 11 Cb -0.12 -0.05 -0.08 0.00 1.07 0.00 0.00 42.92 43.74 2gsb s ASP 11 CO 0.03 -0.32 1.43 1.55 1.18 0.00 0.00 175.17 179.03 2gsb h PRO 12 N 2.63 0.74 -0.39 8.23 0.13 -2.01 -3.11 132.00 138.21 2gsb h PRO 12 Ca -0.37 -0.39 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2gsb h PRO 12 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2gsb h PRO 12 CO 0.64 1.01 0.20 0.45 -0.23 0.00 0.00 178.00 180.07 2gsb h HIS 13 N 0.49 0.52 0.00 1.56 3.86 -1.97 -0.97 115.15 118.65 2gsb h HIS 13 Ca 0.05 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2gsb h HIS 13 Cb 0.87 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.17 2gsb h HIS 13 CO 0.07 0.38 -0.02 0.93 0.86 0.00 0.00 177.93 180.15 2gsb h GLU 14 N 0.54 0.00 0.00 2.45 5.08 -1.93 -0.68 114.58 120.04 2gsb h GLU 14 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2gsb h GLU 14 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2gsb h GLU 14 CO -0.02 0.02 -0.11 0.78 -1.00 0.00 0.00 179.01 178.67 2gsb h GLY 15 N 0.31 0.00 -2.75 -3.84 0.00 -1.25 -3.46 103.07 92.08 2gsb h GLY 15 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2gsb h GLY 15 CO 0.00 0.00 0.48 0.54 0.00 0.00 0.00 176.54 177.57 2gsb s LYS 16 N -3.20 3.79 0.02 4.80 -0.14 -0.26 -4.96 119.74 119.79 2gsb s LYS 16 Ca 0.07 1.77 -0.06 0.00 -1.36 0.00 0.00 55.97 56.39 2gsb s LYS 16 Cb 0.07 -2.43 -0.30 0.00 -1.68 0.00 0.00 37.83 33.50 2gsb s LYS 16 CO 0.67 -0.52 0.94 0.97 -0.76 0.00 0.00 175.35 176.64 2gsb h ILE 17 N 1.92 1.24 0.00 2.17 2.10 -1.89 -3.27 117.51 119.78 2gsb h ILE 17 Ca -0.49 -2.82 0.00 0.00 1.08 0.00 0.00 64.86 62.62 2gsb h ILE 17 Cb 1.24 2.86 0.00 0.00 -1.09 0.00 0.00 36.82 39.83 2gsb h ILE 17 CO 0.60 0.84 0.00 4.11 -1.08 0.00 0.00 178.15 182.63 2gsb h TRP 18 N 0.09 0.00 -3.49 2.19 5.08 -1.94 -3.41 115.95 114.47 2gsb h TRP 18 Ca -0.23 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.21 2gsb h TRP 18 Cb 2.04 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 28.17 2gsb h TRP 18 CO 0.08 0.00 0.29 0.12 -1.28 0.00 0.00 178.44 177.65 2gsb s PHE 19 N -3.27 3.75 -0.38 0.12 5.36 -1.23 -1.08 117.98 121.25 2gsb s PHE 19 Ca 0.06 1.66 0.01 0.00 -0.96 0.00 0.00 56.93 57.70 2gsb s PHE 19 Cb 0.10 -2.99 0.13 0.00 -0.34 0.00 0.00 43.02 39.93 2gsb s PHE 19 CO 0.50 0.19 0.21 -1.01 -1.46 0.00 0.00 175.22 173.64 2gsb s HIS 20 N 0.19 1.33 -0.04 10.12 3.76 0.14 -4.90 115.29 125.89 2gsb s HIS 20 Ca 0.45 -1.95 0.15 0.00 -0.15 0.00 0.00 55.06 53.56 2gsb s HIS 20 Cb -0.22 -1.40 -0.23 0.00 1.11 0.00 0.00 32.58 31.84 2gsb s HIS 20 CO 0.27 -0.81 0.30 0.41 -0.85 0.00 0.00 174.74 174.06 2gsb n GLY 21 N 3.94 -0.70 0.23 -2.22 0.00 -1.26 -4.31 105.19 100.87 2gsb n GLY 21 Ca 0.09 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 2gsb n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb h LYS 22 N 0.00 0.78 0.00 1.61 1.79 -1.98 -3.45 116.57 115.32 2gsb h LYS 22 Ca -0.05 -0.45 -0.34 0.00 -2.18 0.00 0.00 60.65 57.63 2gsb h LYS 22 Cb 0.86 0.03 0.19 0.00 -1.58 0.00 0.00 32.23 31.74 2gsb h LYS 22 CO 0.00 1.08 -0.10 0.44 -1.08 0.00 0.00 179.45 179.79 2gsb n ILE 23 N -4.15 0.00 -3.76 1.86 -5.35 -1.26 -5.07 119.36 101.63 2gsb n ILE 23 Ca -0.04 -0.10 -0.16 0.00 -0.27 0.00 0.00 62.75 62.18 2gsb n ILE 23 Cb 0.54 -0.97 -0.00 0.00 -1.74 0.00 0.00 39.64 37.47 2gsb n ILE 23 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2gsb n SER 24 N -5.40 2.09 -0.01 7.28 7.64 -1.26 -5.01 113.62 118.95 2gsb n SER 24 Ca 0.13 -2.15 -0.11 0.00 1.01 0.00 0.00 58.87 57.74 2gsb n SER 24 Cb 0.54 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.75 2gsb n SER 24 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gsb h LYS 25 N 0.00 0.61 0.00 1.43 3.64 -1.98 -3.08 116.57 117.20 2gsb h LYS 25 Ca -0.21 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2gsb h LYS 25 Cb 0.77 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2gsb h LYS 25 CO 0.33 1.03 -0.07 -0.56 -2.27 0.00 0.00 179.45 177.91 2gsb h GLN 26 N 0.46 0.00 -0.95 1.90 3.07 -2.02 -3.34 115.11 114.23 2gsb h GLN 26 Ca -0.00 0.00 0.29 0.00 0.09 0.00 0.00 58.65 59.03 2gsb h GLN 26 Cb 1.16 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 28.56 2gsb h GLN 26 CO 0.11 0.80 0.29 0.93 0.09 0.00 0.00 178.83 181.06 2gsb h GLU 27 N -1.00 0.13 -0.93 0.06 3.07 -1.97 0.65 114.58 114.59 2gsb h GLU 27 Ca -0.02 -0.01 0.20 0.00 -0.50 0.00 0.00 59.36 59.03 2gsb h GLU 27 Cb 0.82 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.59 2gsb h GLU 27 CO -0.01 0.08 0.50 0.00 -1.40 0.00 0.00 179.01 178.18 2gsb h ALA 28 N 1.89 1.52 -0.72 3.43 0.00 -1.66 0.44 119.26 124.17 2gsb h ALA 28 Ca 0.65 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.64 2gsb h ALA 28 Cb 1.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2gsb h ALA 28 CO -0.74 -0.18 0.33 1.88 0.00 0.00 0.00 179.25 180.54 2gsb h TYR 29 N 0.60 1.04 -0.01 0.00 0.05 0.17 -1.26 116.97 117.56 2gsb h TYR 29 Ca 0.55 -0.06 -0.17 0.00 0.05 0.00 0.00 58.73 59.11 2gsb h TYR 29 Cb 0.93 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 2gsb h TYR 29 CO -0.06 0.78 -0.76 -0.97 -1.05 0.00 0.00 178.16 176.09 2gsb h ASN 30 N 1.01 0.12 0.68 3.88 -1.24 -0.77 -2.87 115.58 116.39 2gsb h ASN 30 Ca 0.24 -0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 2gsb h ASN 30 Cb 0.14 -0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.16 2gsb h ASN 30 CO -0.03 0.84 -0.33 -0.07 -1.29 0.00 0.00 177.43 176.55 2gsb h LEU 31 N 0.06 -0.78 -1.73 0.34 3.38 0.14 0.23 115.31 116.95 2gsb h LEU 31 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gsb h LEU 31 Cb 1.34 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2gsb h LEU 31 CO 0.11 -0.40 0.00 -0.07 0.09 0.00 0.00 178.44 178.17 2gsb h LEU 32 N -1.23 0.00 0.00 1.67 3.38 -1.35 0.38 115.31 118.16 2gsb h LEU 32 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2gsb h LEU 32 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2gsb h LEU 32 CO 0.15 0.00 -1.29 0.23 0.09 0.00 0.00 178.44 177.63 2gsb n MET 33 N -2.44 0.62 0.00 1.13 2.81 -1.08 -3.37 117.12 114.78 2gsb n MET 33 Ca -0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2gsb n MET 33 Cb 0.06 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 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 -2.55 0.00 0.29 2.03 -2.24 0.29 -4.75 114.28 107.35 2gsb n THR 34 Ca -0.01 0.09 0.18 0.00 -2.27 0.00 0.00 64.05 62.04 2gsb n THR 34 Cb 0.55 -0.95 0.86 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.11 -4.40 2.28 -1.51 -0.59 -3.44 116.25 108.70 2gsb h VAL 35 Ca 0.00 -0.38 -0.14 0.00 -1.23 0.00 0.00 66.70 64.95 2gsb h VAL 35 Cb 0.00 1.33 0.02 0.00 -2.13 0.00 0.00 31.29 30.51 2gsb h VAL 35 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 2gsb n GLY 36 N -0.43 1.44 3.68 5.19 0.00 0.22 -4.87 105.19 110.41 2gsb n GLY 36 Ca -0.01 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 2gsb n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gsb s GLN 37 N -2.93 2.18 0.00 1.61 -0.21 -1.22 -4.67 119.66 114.42 2gsb s GLN 37 Ca 0.18 -1.63 0.06 0.00 0.02 0.00 0.00 55.36 54.00 2gsb s GLN 37 Cb -0.01 0.56 0.32 0.00 1.00 0.00 0.00 33.01 34.87 2gsb s GLN 37 CO 0.12 -0.98 1.07 0.28 -2.12 0.00 0.00 175.29 173.66 2gsb n VAL 38 N -0.57 0.97 -1.71 1.09 0.31 -1.26 -1.36 118.33 115.81 2gsb n VAL 38 Ca -0.05 0.24 0.06 0.00 -0.01 0.00 0.00 64.34 64.58 2gsb n VAL 38 Cb 0.60 -1.14 0.13 0.00 -0.91 0.00 0.00 33.84 32.53 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 -2.63 2.61 0.25 0.00 0.01 -0.46 -3.23 113.70 110.24 2gsb s SER 40 Ca 0.31 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2gsb s SER 40 Cb 0.31 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 2gsb s SER 40 CO -0.06 0.05 0.18 0.72 0.41 0.00 0.00 173.24 174.54 2gsb s PHE 41 N -1.27 1.37 -0.25 2.43 -0.71 -1.22 -3.39 117.98 114.94 2gsb s PHE 41 Ca 0.08 -1.46 -0.26 0.00 -1.04 0.00 0.00 56.93 54.25 2gsb s PHE 41 Cb -0.09 -0.63 0.10 0.00 -1.21 0.00 0.00 43.02 41.19 2gsb s PHE 41 CO 0.05 -0.70 0.89 -0.48 -1.34 0.00 0.00 175.22 173.64 2gsb s LEU 42 N -3.24 -0.57 -0.11 -1.99 0.05 -0.89 -0.31 118.68 111.61 2gsb s LEU 42 Ca 0.39 1.04 -0.04 0.00 0.05 0.00 0.00 54.13 55.58 2gsb s LEU 42 Cb 0.06 2.14 -0.04 0.00 -2.05 0.00 0.00 46.19 46.30 2gsb s LEU 42 CO 0.17 -0.23 0.03 -0.69 -0.55 0.00 0.00 176.35 175.08 2gsb s VAL 43 N 0.10 4.55 0.01 1.48 1.01 -0.24 -1.41 120.40 125.90 2gsb s VAL 43 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2gsb s VAL 43 Cb -0.04 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 2gsb s VAL 43 CO -0.02 0.57 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 2gsb s ARG 44 N -0.58 0.48 0.08 2.72 1.70 -1.01 0.25 118.95 122.59 2gsb s ARG 44 Ca 0.10 -0.39 -0.31 0.00 -0.47 0.00 0.00 55.73 54.66 2gsb s ARG 44 Cb -0.12 -0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 33.79 2gsb s ARG 44 CO 0.02 0.10 1.39 -1.25 -1.08 0.00 0.00 175.30 174.48 2gsb s PRO 45 N -0.62 4.31 0.65 3.89 0.04 -1.26 -2.62 135.00 139.39 2gsb s PRO 45 Ca -0.02 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 2gsb s PRO 45 Cb -0.05 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 2gsb s PRO 45 CO 0.00 -0.48 1.13 0.45 0.04 0.00 0.00 177.00 178.15 2gsb n SER 46 N 4.42 1.36 -0.07 6.66 2.88 0.87 -4.95 113.62 124.80 2gsb n SER 46 Ca 0.12 0.79 -0.05 0.00 -1.33 0.00 0.00 58.87 58.39 2gsb n SER 46 Cb 0.43 -1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 62.39 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 -1.55 1.54 -0.28 -3.46 -0.08 -1.26 -4.55 116.55 106.89 2gsb n ASP 47 Ca 0.15 0.44 -0.05 0.00 -1.51 0.00 0.00 54.79 53.82 2gsb n ASP 47 Cb 0.48 -0.76 -0.00 0.00 2.34 0.00 0.00 41.12 43.18 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 -0.82 -1.45 -3.46 1.67 2.35 -1.99 -3.37 115.58 108.51 2gsb h ASN 48 Ca 0.00 0.27 -0.60 0.00 -0.55 0.00 0.00 56.30 55.42 2gsb h ASN 48 Cb 0.60 0.71 -0.11 0.00 0.05 0.00 0.00 38.32 39.56 2gsb h ASN 48 CO 0.00 -0.30 -0.20 -0.89 -1.65 0.00 0.00 177.43 174.38 2gsb s THR 49 N -5.88 5.20 -2.00 2.81 2.01 -1.26 -4.94 115.64 111.57 2gsb s THR 49 Ca -0.14 0.71 0.08 0.00 0.31 0.00 0.00 61.69 62.65 2gsb s THR 49 Cb 0.16 -3.73 0.22 0.00 0.01 0.00 0.00 72.50 69.17 2gsb s THR 49 CO 0.68 0.26 0.92 -0.81 -0.69 0.00 0.00 174.62 174.98 2gsb n PRO 50 N 4.38 0.49 -2.93 4.92 -0.04 -1.26 -3.56 135.00 137.01 2gsb n PRO 50 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 2gsb n PRO 50 Cb 0.51 -1.25 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2gsb n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gsb n GLY 51 N -0.02 1.74 3.38 0.55 0.00 -1.26 -5.07 105.19 104.51 2gsb n GLY 51 Ca 0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.70 -0.19 0.24 1.61 2.15 -1.23 -4.38 116.67 113.17 2gsb s ASP 52 Ca 0.31 -0.46 -0.02 0.00 0.43 0.00 0.00 52.55 52.80 2gsb s ASP 52 Cb 0.29 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.38 2gsb s ASP 52 CO -0.10 -0.92 0.24 -0.31 -0.17 0.00 0.00 175.17 173.91 2gsb s TYR 53 N -3.85 1.12 -0.17 -5.34 2.02 -0.98 -0.09 117.35 110.06 2gsb s TYR 53 Ca 0.07 -1.31 -0.28 0.00 -0.37 0.00 0.00 57.07 55.18 2gsb s TYR 53 Cb 0.01 -0.42 0.08 0.00 -0.40 0.00 0.00 41.96 41.23 2gsb s TYR 53 CO -0.07 -0.78 0.73 -1.54 -1.57 0.00 0.00 175.55 172.32 2gsb s SER 54 N -3.18 -0.68 -0.02 2.29 1.04 -1.08 -0.26 113.70 111.82 2gsb s SER 54 Ca 0.36 1.05 -0.03 0.00 0.48 0.00 0.00 55.95 57.81 2gsb s SER 54 Cb 0.04 0.98 -0.04 0.00 0.10 0.00 0.00 66.02 67.10 2gsb s SER 54 CO 0.15 -0.41 0.14 -0.22 0.98 0.00 0.00 173.24 173.88 2gsb s LEU 55 N -0.39 4.21 -0.15 2.42 0.20 -1.23 -2.39 118.68 121.36 2gsb s LEU 55 Ca -0.05 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.07 2gsb s LEU 55 Cb -0.03 -2.42 0.02 0.00 -0.43 0.00 0.00 46.19 43.33 2gsb s LEU 55 CO 0.05 0.29 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.93 2gsb s TYR 56 N -1.24 2.26 0.01 5.38 1.51 -0.50 -1.03 117.35 123.74 2gsb s TYR 56 Ca 0.24 -1.25 0.07 0.00 -1.01 0.00 0.00 57.07 55.11 2gsb s TYR 56 Cb -0.12 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 2gsb s TYR 56 CO 0.15 -0.66 -0.20 0.12 -1.11 0.00 0.00 175.55 173.85 2gsb s PHE 57 N 1.36 1.76 -0.17 2.71 5.36 -1.23 -2.10 117.98 125.68 2gsb s PHE 57 Ca 0.03 -0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 55.53 2gsb s PHE 57 Cb -0.13 -1.09 -0.05 0.00 -0.34 0.00 0.00 43.02 41.41 2gsb s PHE 57 CO -0.09 0.03 0.22 0.50 -1.46 0.00 0.00 175.22 174.41 2gsb s ARG 58 N -0.79 4.16 0.22 10.12 6.06 -1.22 0.34 118.95 137.83 2gsb s ARG 58 Ca 0.07 -0.03 0.03 0.00 -2.50 0.00 0.00 55.73 53.30 2gsb s ARG 58 Cb -0.08 -3.40 -0.05 0.00 0.06 0.00 0.00 34.95 31.48 2gsb s ARG 58 CO 0.00 0.32 0.01 0.95 -2.50 0.00 0.00 175.30 174.09 2gsb s THR 59 N 0.26 0.86 0.27 4.11 -4.23 -1.24 -4.28 115.64 111.39 2gsb s THR 59 Ca 0.13 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2gsb s THR 59 Cb -0.12 -2.32 0.26 0.00 1.34 0.00 0.00 72.50 71.66 2gsb s THR 59 CO 0.02 -0.33 1.74 0.78 -0.54 0.00 0.00 174.62 176.29 2gsb h ASN 60 N 2.53 0.45 0.08 3.99 2.35 -1.98 -3.05 115.58 119.94 2gsb h ASN 60 Ca -0.38 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2gsb h ASN 60 Cb 1.22 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2gsb h ASN 60 CO 0.63 0.14 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.44 2gsb h GLU 61 N 0.54 -0.10 -2.27 0.81 4.81 -2.02 -3.49 114.58 112.86 2gsb h GLU 61 Ca 0.50 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.82 2gsb h GLU 61 Cb 0.80 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.05 2gsb h GLU 61 CO -0.42 -0.07 0.46 0.54 -0.73 0.00 0.00 179.01 178.79 2gsb s ASN 62 N -2.93 -0.39 -0.06 1.04 4.22 -1.15 -5.12 114.94 110.55 2gsb s ASN 62 Ca -0.01 0.06 -0.29 0.00 -2.14 0.00 0.00 52.86 50.47 2gsb s ASN 62 Cb 0.00 0.40 -0.07 0.00 1.28 0.00 0.00 41.25 42.87 2gsb s ASN 62 CO 0.04 -0.63 1.87 -0.63 -2.04 0.00 0.00 177.10 175.72 2gsb s ILE 63 N -2.94 3.26 1.08 0.54 1.01 -1.26 -3.64 121.20 119.25 2gsb s ILE 63 Ca 0.03 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 2gsb s ILE 63 Cb -0.01 -3.22 0.25 0.00 0.01 0.00 0.00 42.46 39.49 2gsb s ILE 63 CO -0.08 -0.06 1.23 -1.10 0.00 0.00 0.00 174.94 174.93 2gsb s GLN 64 N 4.64 -0.32 -0.27 2.79 1.11 0.15 -4.88 119.66 122.88 2gsb s GLN 64 Ca 0.84 -0.28 -0.06 0.00 0.01 0.00 0.00 55.36 55.87 2gsb s GLN 64 Cb -0.36 -1.72 0.14 0.00 -1.01 0.00 0.00 33.01 30.05 2gsb s GLN 64 CO 0.36 -3.07 0.55 0.50 0.01 0.00 0.00 175.29 173.63 2gsb s ARG 65 N -5.69 0.49 0.56 2.91 3.52 -1.26 -3.47 118.95 116.00 2gsb s ARG 65 Ca 0.73 1.12 0.09 0.00 -0.13 0.00 0.00 55.73 57.54 2gsb s ARG 65 Cb -0.06 0.49 0.07 0.00 -1.56 0.00 0.00 34.95 33.89 2gsb s ARG 65 CO 0.54 -0.38 0.76 -0.06 -0.81 0.00 0.00 175.30 175.36 2gsb s PHE 66 N 2.78 1.70 -0.03 5.12 0.08 -0.20 -4.94 117.98 122.47 2gsb s PHE 66 Ca 0.04 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 2gsb s PHE 66 Cb -0.13 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 2gsb s PHE 66 CO -0.18 -1.05 0.01 0.15 -0.10 0.00 0.00 175.22 174.05 2gsb s LYS 67 N -4.64 0.23 -0.33 0.44 3.01 -1.26 -3.46 119.74 113.72 2gsb s LYS 67 Ca 0.61 0.14 -0.02 0.00 -1.01 0.00 0.00 55.97 55.69 2gsb s LYS 67 Cb -0.07 -0.51 0.07 0.00 -1.01 0.00 0.00 37.83 36.31 2gsb s LYS 67 CO 0.38 -0.19 0.05 0.42 0.51 0.00 0.00 175.35 176.53 2gsb s ILE 68 N 1.32 3.04 0.09 2.17 1.01 0.64 -4.16 121.20 125.30 2gsb s ILE 68 Ca -0.06 -1.60 -0.15 0.00 0.00 0.00 0.00 60.65 58.85 2gsb s ILE 68 Cb -0.13 -2.86 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 2gsb s ILE 68 CO -0.02 -0.28 0.50 0.00 0.00 0.00 0.00 174.94 175.14 2gsb s PRO 70 N -1.58 3.19 0.06 0.00 0.04 -1.26 -2.07 135.00 133.38 2gsb s PRO 70 Ca 0.32 1.54 0.07 0.00 0.04 0.00 0.00 61.00 62.97 2gsb s PRO 70 Cb -0.16 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 2gsb s PRO 70 CO 0.18 -0.97 -0.19 0.95 0.04 0.00 0.00 177.00 177.01 2gsb s THR 71 N -1.95 1.50 -1.68 1.26 -4.23 -1.06 -4.88 115.64 104.60 2gsb s THR 71 Ca 0.71 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 60.10 2gsb s THR 71 Cb -0.23 -1.35 0.34 0.00 1.34 0.00 0.00 72.50 72.60 2gsb s THR 71 CO 0.31 0.03 1.38 -0.81 -0.54 0.00 0.00 174.62 174.99 2gsb n PRO 72 N 1.56 0.33 -1.22 3.99 -0.04 -1.26 -2.74 135.00 135.62 2gsb n PRO 72 Ca -0.19 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.12 2gsb n PRO 72 Cb 0.54 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.66 2gsb n PRO 72 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2gsb n ASN 73 N -1.16 4.37 -3.87 3.54 0.23 -1.26 -4.89 115.26 112.21 2gsb n ASN 73 Ca 0.09 -3.67 -0.31 0.00 -0.53 0.00 0.00 54.58 50.16 2gsb n ASN 73 Cb 0.09 -0.83 -0.02 0.00 -2.08 0.00 0.00 39.78 36.94 2gsb n ASN 73 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2gsb n ASN 74 N -1.10 -3.48 -4.05 0.53 2.85 -1.11 -4.93 115.26 103.97 2gsb n ASN 74 Ca 0.57 -0.75 -0.22 0.00 -0.11 0.00 0.00 54.58 54.07 2gsb n ASN 74 Cb 1.40 -2.86 -0.09 0.00 1.24 0.00 0.00 39.78 39.47 2gsb n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2gsb s GLN 75 N -6.55 1.75 -0.02 1.20 -0.21 -1.25 -4.86 119.66 109.72 2gsb s GLN 75 Ca 0.61 -2.03 0.08 0.00 0.02 0.00 0.00 55.36 54.04 2gsb s GLN 75 Cb -0.33 -0.37 -0.02 0.00 1.00 0.00 0.00 33.01 33.29 2gsb s GLN 75 CO 0.75 -0.45 -0.25 -0.06 -2.12 0.00 0.00 175.29 173.16 2gsb s PHE 76 N -3.39 2.35 -0.24 0.91 0.08 -0.61 -2.56 117.98 114.51 2gsb s PHE 76 Ca 0.31 -0.42 -0.07 0.00 0.12 0.00 0.00 56.93 56.87 2gsb s PHE 76 Cb 0.04 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 2gsb s PHE 76 CO 0.17 -0.01 0.06 -1.64 -0.10 0.00 0.00 175.22 173.69 2gsb s MET 77 N -0.67 3.63 -0.73 0.44 -1.94 -0.88 -1.90 119.30 117.25 2gsb s MET 77 Ca 0.10 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.63 2gsb s MET 77 Cb -0.10 -3.29 0.27 0.00 2.01 0.00 0.00 34.83 33.73 2gsb s MET 77 CO -0.01 -0.18 0.96 -0.12 -0.01 0.00 0.00 175.02 175.66 2gsb n MET 78 N 4.88 3.12 0.00 2.03 1.56 -1.12 -2.45 117.12 125.13 2gsb n MET 78 Ca -0.16 -4.68 0.00 0.00 -0.27 0.00 0.00 57.70 52.59 2gsb n MET 78 Cb 0.51 -2.32 0.00 0.00 2.15 0.00 0.00 33.22 33.57 2gsb n MET 78 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gsb n GLY 79 N 0.78 2.51 1.65 -5.12 0.00 -1.26 -4.38 105.19 99.37 2gsb n GLY 79 Ca 0.30 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.67 3.14 -0.02 0.00 -1.26 -5.14 105.19 102.58 2gsb n GLY 80 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 0.05 0.46 -0.17 1.61 1.81 -1.26 -5.15 118.95 116.29 2gsb s ARG 81 Ca 0.03 -0.12 -0.08 0.00 -1.72 0.00 0.00 55.73 53.85 2gsb s ARG 81 Cb 0.17 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 2gsb s ARG 81 CO -0.05 -0.10 0.09 0.71 -0.68 0.00 0.00 175.30 175.27 2gsb s TYR 82 N -0.89 3.35 0.09 -0.53 2.02 -1.26 -2.79 117.35 117.35 2gsb s TYR 82 Ca -0.10 0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.89 2gsb s TYR 82 Cb -0.05 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2gsb s TYR 82 CO 0.02 0.32 -0.14 0.71 -1.57 0.00 0.00 175.55 174.89 2gsb s TYR 83 N 0.00 1.31 0.06 2.71 1.51 -0.80 -4.95 117.35 117.19 2gsb s TYR 83 Ca 0.07 -0.51 -0.22 0.00 -1.01 0.00 0.00 57.07 55.41 2gsb s TYR 83 Cb -0.12 -0.71 -0.13 0.00 -0.11 0.00 0.00 41.96 40.89 2gsb s TYR 83 CO 0.00 0.09 1.51 -0.91 -1.11 0.00 0.00 175.55 175.14 2gsb h ASN 84 N 3.93 0.20 -4.70 2.29 2.35 -1.89 -1.61 115.58 116.15 2gsb h ASN 84 Ca -0.40 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 54.94 2gsb h ASN 84 Cb 1.19 -0.05 -0.21 0.00 0.05 0.00 0.00 38.32 39.30 2gsb h ASN 84 CO 0.45 0.42 -0.32 -0.55 -1.65 0.00 0.00 177.43 175.78 2gsb s SER 85 N -5.67 -0.19 0.29 5.81 0.15 -1.26 -4.61 113.70 108.21 2gsb s SER 85 Ca -0.14 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2gsb s SER 85 Cb 0.05 0.38 0.72 0.00 -1.71 0.00 0.00 66.02 65.46 2gsb s SER 85 CO 0.70 -0.35 1.44 -0.38 1.20 0.00 0.00 173.24 175.85 2gsb n ILE 86 N 1.71 -0.39 -0.19 6.45 5.41 -1.26 0.64 119.36 131.74 2gsb n ILE 86 Ca -0.20 2.02 -0.00 0.00 1.00 0.00 0.00 62.75 65.58 2gsb n ILE 86 Cb 0.56 -2.96 0.09 0.00 -0.71 0.00 0.00 39.64 36.62 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 0.63 0.14 7.39 0.00 -2.00 -2.01 103.07 107.21 2gsb h GLY 87 Ca 0.56 0.06 0.06 0.00 0.00 0.00 0.00 47.33 48.01 2gsb h GLY 87 CO -0.86 -0.17 -0.27 -1.80 0.00 0.00 0.00 176.54 173.44 2gsb h ASP 88 N 0.14 -0.87 -0.98 0.19 1.82 -0.21 -1.07 116.42 115.45 2gsb h ASP 88 Ca 0.30 0.14 0.33 0.00 -0.39 0.00 0.00 57.03 57.41 2gsb h ASP 88 Cb 0.47 0.39 -0.17 0.00 0.68 0.00 0.00 39.33 40.70 2gsb h ASP 88 CO -0.48 -0.31 0.29 0.40 -1.61 0.00 0.00 179.24 177.54 2gsb h ILE 89 N -0.30 0.07 0.56 2.25 2.04 -1.29 0.42 117.51 121.27 2gsb h ILE 89 Ca 0.12 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2gsb h ILE 89 Cb 0.49 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2gsb h ILE 89 CO -0.38 0.01 -0.27 0.40 0.00 0.00 0.00 178.15 177.91 2gsb h ILE 90 N 0.06 0.22 -1.09 -0.67 5.03 -1.15 0.55 117.51 120.45 2gsb h ILE 90 Ca 0.70 -0.41 0.31 0.00 -0.12 0.00 0.00 64.86 65.34 2gsb h ILE 90 Cb 1.64 0.31 -0.11 0.00 -3.03 0.00 0.00 36.82 35.62 2gsb h ILE 90 CO -0.81 0.03 0.68 0.44 -0.68 0.00 0.00 178.15 177.82 2gsb h ASP 91 N -1.09 0.44 0.31 1.72 3.32 -0.50 0.44 116.42 121.06 2gsb h ASP 91 Ca -0.08 0.12 -0.28 0.00 0.02 0.00 0.00 57.03 56.81 2gsb h ASP 91 Cb 0.64 0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.26 2gsb h ASP 91 CO 0.13 -0.01 -1.18 -0.74 -1.72 0.00 0.00 179.24 175.72 2gsb h HIS 92 N 0.34 0.79 0.00 4.55 2.76 -0.93 -3.23 115.15 119.42 2gsb h HIS 92 Ca 0.67 -0.50 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2gsb h HIS 92 Cb 1.74 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.63 2gsb h HIS 92 CO -0.00 1.35 -0.24 1.88 -1.30 0.00 0.00 177.93 179.62 2gsb h TYR 93 N 0.21 0.00 -0.67 5.26 -1.99 0.21 -2.80 116.97 117.18 2gsb h TYR 93 Ca -0.15 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.77 2gsb h TYR 93 Cb 1.86 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.56 2gsb h TYR 93 CO 0.09 0.24 0.68 0.00 -0.00 0.00 0.00 178.16 179.17 2gsb h ARG 94 N 0.00 0.00 0.00 4.88 3.08 -0.59 0.59 114.38 122.34 2gsb h ARG 94 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2gsb h ARG 94 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 2gsb h ARG 94 CO 0.03 0.00 -1.85 0.36 -1.07 0.00 0.00 179.97 177.44 2gsb n LYS 95 N -3.68 1.43 -3.55 0.04 2.85 -1.07 -4.73 118.16 109.45 2gsb n LYS 95 Ca 0.14 -0.04 -0.40 0.00 -1.05 0.00 0.00 58.31 56.96 2gsb n LYS 95 Cb 0.92 -1.34 -0.11 0.00 -0.65 0.00 0.00 35.03 33.85 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 -2.51 3.49 -0.28 -1.58 8.01 0.20 -5.02 118.70 121.00 2gsb s GLU 96 Ca -0.06 -0.64 -0.36 0.00 0.01 0.00 0.00 54.97 53.91 2gsb s GLU 96 Cb 0.05 -3.76 -0.13 0.00 -4.31 0.00 0.00 34.13 25.98 2gsb s GLU 96 CO 0.56 -0.43 2.01 1.04 0.01 0.00 0.00 175.26 178.46 2gsb n GLN 97 N 5.08 1.31 0.27 1.61 6.02 -1.26 -4.58 117.38 125.83 2gsb n GLN 97 Ca -0.13 0.42 0.15 0.00 -0.01 0.00 0.00 57.00 57.44 2gsb n GLN 97 Cb 0.50 -2.39 0.68 0.00 1.02 0.00 0.00 30.24 30.04 2gsb n GLN 97 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2gsb h ILE 98 N 6.28 0.20 -4.28 5.09 2.10 -1.69 -3.45 117.51 121.76 2gsb h ILE 98 Ca -0.36 -0.62 -0.30 0.00 1.08 0.00 0.00 64.86 64.65 2gsb h ILE 98 Cb 1.31 1.51 -0.06 0.00 -1.09 0.00 0.00 36.82 38.49 2gsb h ILE 98 CO 0.99 0.07 -0.23 0.52 -1.08 0.00 0.00 178.15 178.42 2gsb n VAL 99 N -3.23 0.00 -0.55 2.19 0.31 -1.16 -5.01 118.33 110.88 2gsb n VAL 99 Ca -0.00 -1.17 -0.02 0.00 -0.01 0.00 0.00 64.34 63.14 2gsb n VAL 99 Cb 0.31 0.31 0.01 0.00 -0.91 0.00 0.00 33.84 33.55 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 -0.55 1.12 0.00 5.55 0.28 -1.26 -3.95 120.64 121.82 2gsb n GLU 100 Ca -0.07 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.70 2gsb n GLU 100 Cb 0.31 -1.09 0.00 0.00 1.43 0.00 0.00 31.44 32.09 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 1.33 0.10 3.27 -1.84 0.00 -1.26 -5.16 105.19 101.61 2gsb n GLY 101 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.15 -0.38 0.45 1.61 1.51 -1.25 -5.11 117.35 114.02 2gsb s TYR 102 Ca 0.00 0.91 0.06 0.00 -1.01 0.00 0.00 57.07 57.03 2gsb s TYR 102 Cb 0.00 0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.95 2gsb s TYR 102 CO 0.00 -0.23 0.19 0.71 -1.11 0.00 0.00 175.55 175.11 2gsb s TYR 103 N -0.02 2.35 -0.55 2.71 2.02 -1.26 -2.22 117.35 120.38 2gsb s TYR 103 Ca -0.02 -0.68 -0.17 0.00 -0.37 0.00 0.00 57.07 55.83 2gsb s TYR 103 Cb -0.03 -1.91 0.11 0.00 -0.40 0.00 0.00 41.96 39.74 2gsb s TYR 103 CO 0.01 0.09 0.56 -0.51 -1.57 0.00 0.00 175.55 174.13 2gsb s LEU 104 N -3.96 5.86 -0.03 -1.29 1.43 -1.26 -4.92 118.68 114.51 2gsb s LEU 104 Ca 0.35 -1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 51.80 2gsb s LEU 104 Cb 0.03 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2gsb s LEU 104 CO 0.20 -0.92 0.30 0.11 0.23 0.00 0.00 176.35 176.26 2gsb h LYS 105 N 8.98 -0.14 -2.11 1.70 1.79 -1.96 -3.44 116.57 121.38 2gsb h LYS 105 Ca -0.30 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.13 2gsb h LYS 105 Cb 1.10 0.03 -0.21 0.00 -1.58 0.00 0.00 32.23 31.57 2gsb h LYS 105 CO 1.04 -0.09 0.10 -1.83 -1.08 0.00 0.00 179.45 177.59 2gsb s GLU 106 N -1.97 0.88 0.92 3.15 -1.05 -1.20 -5.10 118.70 114.32 2gsb s GLU 106 Ca -0.02 0.65 -0.15 0.00 -0.15 0.00 0.00 54.97 55.29 2gsb s GLU 106 Cb 0.00 0.42 0.23 0.00 -0.44 0.00 0.00 34.13 34.34 2gsb s GLU 106 CO 0.06 -0.18 0.81 -0.35 0.95 0.00 0.00 175.26 176.55 2gsb n PRO 107 N 2.02 -2.62 -3.60 -4.83 -0.04 -1.26 -3.44 135.00 121.22 2gsb n PRO 107 Ca -0.16 -1.30 -0.36 0.00 -0.04 0.00 0.00 63.50 61.64 2gsb n PRO 107 Cb 0.56 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.73 2gsb n PRO 107 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gsb s VAL 108 N -2.46 5.34 1.05 0.52 1.01 0.57 -4.63 120.40 121.79 2gsb s VAL 108 Ca 0.53 0.44 -0.14 0.00 0.00 0.00 0.00 61.98 62.81 2gsb s VAL 108 Cb -0.05 -3.58 0.22 0.00 0.00 0.00 0.00 36.38 32.96 2gsb s VAL 108 CO 0.40 0.42 1.10 -2.16 0.00 0.00 0.00 175.10 174.86 2gsb s PRO 109 N 0.33 -0.03 0.53 2.72 0.04 -1.26 -4.30 135.00 133.02 2gsb s PRO 109 Ca 0.14 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 2gsb s PRO 109 Cb -0.12 -1.70 0.12 0.00 0.04 0.00 0.00 34.50 32.83 2gsb s PRO 109 CO 0.03 -3.01 0.72 -1.33 0.04 0.00 0.00 177.00 173.45 2gsb n MET 110 N -4.34 -0.41 -3.75 4.56 2.81 -1.26 -5.04 117.12 109.68 2gsb n MET 110 Ca 0.07 -1.37 -0.28 0.00 -1.81 0.00 0.00 57.70 54.30 2gsb n MET 110 Cb 0.58 -0.66 -0.12 0.00 -0.71 0.00 0.00 33.22 32.32 2gsb n MET 110 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2gsb s GLN 111 N -4.45 1.90 -0.03 0.03 -1.52 -1.26 -5.09 119.66 109.23 2gsb s GLN 111 Ca 0.43 -2.83 -0.35 0.00 -1.95 0.00 0.00 55.36 50.66 2gsb s GLN 111 Cb -0.02 -2.78 -0.17 0.00 -0.22 0.00 0.00 33.01 29.82 2gsb s GLN 111 CO 0.29 -1.29 0.95 -0.40 -0.25 0.00 0.00 175.29 174.60 2gsb n ASP 112 N 2.45 0.07 -4.53 5.90 5.68 -1.26 -4.57 116.55 120.29 2gsb n ASP 112 Ca 0.20 1.00 -0.37 0.00 -0.50 0.00 0.00 54.79 55.12 2gsb n ASP 112 Cb 0.38 -0.79 -0.09 0.00 -1.14 0.00 0.00 41.12 39.48 2gsb n ASP 112 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2gsb n GLN 113 N 1.45 0.54 -4.59 0.11 -0.06 -1.26 -4.88 117.38 108.69 2gsb n GLN 113 Ca 0.18 -0.04 -0.27 0.00 -2.00 0.00 0.00 57.00 54.87 2gsb n GLN 113 Cb 0.06 -2.54 -0.10 0.00 -4.06 0.00 0.00 30.24 23.60 2gsb n GLN 113 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2gsb s SER 114 N 10.43 3.37 0.07 1.69 1.04 -1.26 -5.15 113.70 123.90 2gsb s SER 114 Ca 1.15 -1.48 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 2gsb s SER 114 Cb -0.66 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.43 2gsb s SER 114 CO 0.36 -0.65 0.35 -0.83 0.98 0.00 0.00 173.24 173.45 2gsb s GLY 115 N -3.67 2.29 0.75 7.32 0.00 -1.26 -5.09 107.32 107.66 2gsb s GLY 115 Ca 0.27 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 2gsb s GLY 115 CO 0.13 -0.31 1.09 2.56 0.00 0.00 0.00 173.10 176.58 2gsb s PRO 116 N -2.05 2.36 0.44 2.90 0.04 -1.26 -5.05 135.00 132.37 2gsb s PRO 116 Ca 0.33 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 2gsb s PRO 116 Cb -0.13 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2gsb s PRO 116 CO 0.19 -1.57 0.72 0.45 0.04 0.00 0.00 177.00 176.83 2gsb s SER 117 N -3.25 6.30 -0.51 6.66 0.15 -1.26 -4.96 113.70 116.82 2gsb s SER 117 Ca 0.62 0.82 -0.27 0.00 0.70 0.00 0.00 55.95 57.83 2gsb s SER 117 Cb -0.18 -2.20 -0.08 0.00 -1.71 0.00 0.00 66.02 61.85 2gsb s SER 117 CO 0.53 -0.48 2.43 -0.24 1.20 0.00 0.00 173.24 176.68 2gsb n SER 118 N -2.02 2.21 0.00 5.45 2.88 -1.26 -5.35 113.62 115.53 2gsb n SER 118 Ca -0.01 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2gsb n SER 118 Cb 0.55 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2gsb n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42