#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 0.31 -0.13 1.61 0.01 -1.26 -5.16 113.70 109.08 2gsb s SER 2 Ca 0.00 -1.18 0.01 0.00 1.31 0.00 0.00 55.95 56.10 2gsb s SER 2 Cb 0.00 0.68 0.02 0.00 0.21 0.00 0.00 66.02 66.92 2gsb s SER 2 CO 0.00 -1.32 -0.16 -0.44 0.41 0.00 0.00 173.24 171.73 2gsb s SER 3 N -3.11 2.64 -0.72 2.44 0.01 -1.26 -5.08 113.70 108.62 2gsb s SER 3 Ca 0.24 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.99 2gsb s SER 3 Cb -0.02 -1.18 0.18 0.00 0.21 0.00 0.00 66.02 65.21 2gsb s SER 3 CO 0.14 -0.00 0.56 -0.83 0.41 0.00 0.00 173.24 173.52 2gsb s GLY 4 N 1.15 2.69 -0.01 3.44 0.00 -1.26 -5.06 107.32 108.26 2gsb s GLY 4 Ca -0.02 -3.45 -0.28 0.00 0.00 0.00 0.00 44.72 40.96 2gsb s GLY 4 CO -0.05 1.14 0.91 -0.56 0.00 0.00 0.00 173.10 174.54 2gsb s SER 5 N 0.49 7.28 -0.14 1.64 0.01 -1.26 -4.96 113.70 116.76 2gsb s SER 5 Ca 0.20 1.55 -0.17 0.00 1.31 0.00 0.00 55.95 58.84 2gsb s SER 5 Cb -0.16 -2.53 -0.24 0.00 0.21 0.00 0.00 66.02 63.30 2gsb s SER 5 CO -0.06 -0.22 0.42 0.77 0.41 0.00 0.00 173.24 174.56 2gsb h SER 6 N 6.74 0.24 0.00 2.44 4.64 -2.08 -3.51 113.55 122.03 2gsb h SER 6 Ca -0.41 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.14 2gsb h SER 6 Cb 1.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2gsb h SER 6 CO 0.75 1.59 0.00 0.61 -0.87 0.00 0.00 176.83 178.91 2gsb n GLY 7 N 1.68 4.08 3.25 -0.77 0.00 -1.26 -5.17 105.19 107.01 2gsb n GLY 7 Ca -0.28 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 2gsb n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gsb s ARG 8 N -5.11 0.83 0.17 1.61 1.70 -1.26 -5.13 118.95 111.76 2gsb s ARG 8 Ca 0.00 -0.55 -0.32 0.00 -0.47 0.00 0.00 55.73 54.39 2gsb s ARG 8 Cb 0.00 0.36 -0.16 0.00 -0.57 0.00 0.00 34.95 34.58 2gsb s ARG 8 CO 0.00 -0.27 1.04 0.39 -1.08 0.00 0.00 175.30 175.38 2gsb n GLU 9 N 0.48 0.88 -2.09 3.89 4.71 -1.26 -4.82 120.64 122.42 2gsb n GLU 9 Ca -0.18 0.31 -0.43 0.00 -0.01 0.00 0.00 57.16 56.85 2gsb n GLU 9 Cb 0.60 -1.72 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 2gsb n GLU 9 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2gsb s GLU 10 N -0.55 3.86 0.12 3.49 0.41 -1.26 -5.00 118.70 119.78 2gsb s GLU 10 Ca 0.72 1.76 -0.04 0.00 -0.41 0.00 0.00 54.97 57.00 2gsb s GLU 10 Cb -0.90 -4.03 -0.05 0.00 -1.78 0.00 0.00 34.13 27.38 2gsb s GLU 10 CO 0.54 -1.22 0.35 -0.51 -0.49 0.00 0.00 175.26 173.93 2gsb s ASP 11 N 4.10 6.47 0.11 -0.19 1.01 -1.26 -5.02 116.67 121.89 2gsb s ASP 11 Ca 0.72 0.54 -0.14 0.00 0.71 0.00 0.00 52.55 54.39 2gsb s ASP 11 Cb -0.26 -2.07 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 2gsb s ASP 11 CO 0.29 0.08 1.44 1.55 0.21 0.00 0.00 175.17 178.73 2gsb h PRO 12 N 2.92 0.78 -1.03 8.23 0.13 -1.94 -2.74 132.00 138.35 2gsb h PRO 12 Ca -0.46 -0.41 0.26 0.00 -0.87 0.00 0.00 66.00 64.52 2gsb h PRO 12 Cb 1.17 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 2gsb h PRO 12 CO 0.73 1.04 0.68 1.25 -0.23 0.00 0.00 178.00 181.46 2gsb h HIS 13 N 0.55 0.55 0.00 1.56 2.76 -1.99 0.87 115.15 119.44 2gsb h HIS 13 Ca 0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2gsb h HIS 13 Cb 0.90 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2gsb h HIS 13 CO 0.07 0.07 -0.65 0.39 -1.30 0.00 0.00 177.93 176.50 2gsb n GLU 14 N -4.55 0.17 -0.89 5.26 1.02 -1.18 -3.90 120.64 116.58 2gsb n GLU 14 Ca 0.24 0.03 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 2gsb n GLU 14 Cb 0.89 -1.59 0.26 0.00 -0.02 0.00 0.00 31.44 30.97 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gsb n GLY 15 N 1.41 4.15 3.87 0.62 0.00 0.29 -4.97 105.19 110.56 2gsb n GLY 15 Ca 0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.07 3.05 0.19 1.61 -0.14 -0.66 -4.97 119.74 115.74 2gsb s LYS 16 Ca 0.50 0.58 0.17 0.00 -1.36 0.00 0.00 55.97 55.86 2gsb s LYS 16 Cb 0.42 -2.03 -0.02 0.00 -1.68 0.00 0.00 37.83 34.52 2gsb s LYS 16 CO 0.09 -0.92 1.16 0.97 -0.76 0.00 0.00 175.35 175.88 2gsb h ILE 17 N -0.58 0.61 0.06 2.17 2.10 -1.94 -3.33 117.51 116.61 2gsb h ILE 17 Ca -0.45 -1.98 -0.29 0.00 1.08 0.00 0.00 64.86 63.22 2gsb h ILE 17 Cb 1.23 2.17 -0.03 0.00 -1.09 0.00 0.00 36.82 39.10 2gsb h ILE 17 CO 0.63 0.35 -1.53 4.11 -1.08 0.00 0.00 178.15 180.62 2gsb h TRP 18 N 0.00 0.23 -4.11 2.19 5.08 -1.92 -3.39 115.95 114.03 2gsb h TRP 18 Ca -0.07 -0.17 -0.53 0.00 1.08 0.00 0.00 58.89 59.20 2gsb h TRP 18 Cb 1.42 -0.01 0.12 0.00 -3.00 0.00 0.00 29.16 27.69 2gsb h TRP 18 CO 0.00 1.23 0.46 0.12 -1.28 0.00 0.00 178.44 178.97 2gsb s PHE 19 N -2.62 2.34 -0.26 0.12 5.36 -1.25 -2.66 117.98 119.00 2gsb s PHE 19 Ca -0.07 1.52 -0.01 0.00 -0.96 0.00 0.00 56.93 57.41 2gsb s PHE 19 Cb 0.08 -3.48 0.14 0.00 -0.34 0.00 0.00 43.02 39.42 2gsb s PHE 19 CO 0.83 -2.29 0.38 -1.01 -1.46 0.00 0.00 175.22 171.67 2gsb s HIS 20 N -1.66 -0.84 -0.01 10.12 3.76 0.78 -4.86 115.29 122.58 2gsb s HIS 20 Ca 0.77 0.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.25 2gsb s HIS 20 Cb -0.30 -0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 2gsb s HIS 20 CO 0.35 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 173.84 2gsb n GLY 21 N 5.35 -0.06 0.21 -2.22 0.00 -1.26 -4.15 105.19 103.07 2gsb n GLY 21 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.46 -6.92 1.61 1.57 -1.99 -3.44 116.57 106.94 2gsb h LYS 22 Ca -0.03 0.03 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 2gsb h LYS 22 Cb 1.08 0.10 0.21 0.00 0.08 0.00 0.00 32.23 33.70 2gsb h LYS 22 CO 0.00 -0.26 -0.17 0.44 -0.57 0.00 0.00 179.45 178.89 2gsb n ILE 23 N -5.27 0.00 -3.70 1.86 -5.35 -1.26 -5.05 119.36 100.59 2gsb n ILE 23 Ca -0.10 -0.17 -0.19 0.00 -0.27 0.00 0.00 62.75 62.01 2gsb n ILE 23 Cb 0.22 -0.95 0.01 0.00 -1.74 0.00 0.00 39.64 37.18 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 -5.15 2.23 -0.01 7.28 7.64 -1.26 -5.01 113.62 119.34 2gsb n SER 24 Ca 0.09 -2.39 -0.12 0.00 1.01 0.00 0.00 58.87 57.46 2gsb n SER 24 Cb 0.57 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.10 0.08 1.43 3.64 -1.98 -2.83 116.57 117.02 2gsb h LYS 25 Ca -0.25 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2gsb h LYS 25 Cb 0.95 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2gsb h LYS 25 CO 0.40 0.36 -0.04 1.96 -2.27 0.00 0.00 179.45 179.85 2gsb h GLN 26 N -0.17 -0.10 -0.84 1.90 7.50 -2.01 -3.03 115.11 118.36 2gsb h GLN 26 Ca 0.02 0.01 0.21 0.00 0.50 0.00 0.00 58.65 59.38 2gsb h GLN 26 Cb 0.31 0.02 -0.14 0.00 0.05 0.00 0.00 27.48 27.72 2gsb h GLN 26 CO 0.00 0.10 0.08 0.93 -1.50 0.00 0.00 178.83 178.44 2gsb h GLU 27 N -0.30 0.11 -0.43 1.46 5.08 -1.96 0.89 114.58 119.44 2gsb h GLU 27 Ca -0.01 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2gsb h GLU 27 Cb 0.26 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 2gsb h GLU 27 CO 0.02 0.08 -0.17 0.00 -1.00 0.00 0.00 179.01 177.94 2gsb h ALA 28 N 1.79 0.18 -1.06 3.43 0.00 -1.37 0.16 119.26 122.38 2gsb h ALA 28 Ca 0.49 0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.84 2gsb h ALA 28 Cb 0.94 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 2gsb h ALA 28 CO -0.71 -0.52 0.66 1.88 0.00 0.00 0.00 179.25 180.56 2gsb h TYR 29 N -0.08 0.77 0.24 0.00 0.05 -0.83 0.17 116.97 117.28 2gsb h TYR 29 Ca 0.21 0.03 -0.33 0.00 0.05 0.00 0.00 58.73 58.68 2gsb h TYR 29 Cb 0.40 -0.22 0.03 0.00 1.01 0.00 0.00 36.73 37.95 2gsb h TYR 29 CO -0.42 0.01 -1.48 -0.97 -1.05 0.00 0.00 178.16 174.25 2gsb h ASN 30 N 0.40 0.79 -0.64 3.88 -1.24 -0.84 -3.13 115.58 114.80 2gsb h ASN 30 Ca 0.65 -0.86 0.07 0.00 0.71 0.00 0.00 56.30 56.86 2gsb h ASN 30 Cb 1.57 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 40.32 2gsb h ASN 30 CO -0.39 1.68 0.43 -0.07 -1.29 0.00 0.00 177.43 177.78 2gsb h LEU 31 N 0.14 0.53 -0.39 0.34 3.38 0.19 0.45 115.31 119.95 2gsb h LEU 31 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2gsb h LEU 31 Cb 2.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2gsb h LEU 31 CO 0.26 0.34 -0.11 0.18 0.09 0.00 0.00 178.44 179.21 2gsb n LEU 32 N -4.48 0.72 -0.00 1.67 4.77 -0.18 0.95 117.00 120.45 2gsb n LEU 32 Ca 0.09 -0.14 0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2gsb n LEU 32 Cb 0.26 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 2gsb n LEU 32 CO 0.34 0.13 -0.44 0.23 -1.33 0.00 0.00 177.39 176.31 2gsb n MET 33 N -0.70 1.27 -0.00 3.23 2.81 0.69 -3.84 117.12 120.58 2gsb n MET 33 Ca 0.16 -0.07 -0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2gsb n MET 33 Cb 0.29 -1.21 -0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 -1.71 0.08 0.12 2.03 -2.24 0.12 -4.80 114.28 107.88 2gsb n THR 34 Ca -0.01 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2gsb n THR 34 Cb 0.27 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 -0.02 1.07 -2.34 2.28 -1.51 -1.62 -3.46 116.25 110.65 2gsb h VAL 35 Ca 0.00 -2.49 -0.44 0.00 -1.23 0.00 0.00 66.70 62.54 2gsb h VAL 35 Cb 0.02 2.51 0.03 0.00 -2.13 0.00 0.00 31.29 31.73 2gsb h VAL 35 CO 0.00 0.60 -0.12 -0.83 -1.23 0.00 0.00 177.57 175.99 2gsb s GLY 36 N -4.52 1.74 0.32 5.19 0.00 0.27 -4.86 107.32 105.46 2gsb s GLY 36 Ca 0.03 -1.31 0.06 0.00 0.00 0.00 0.00 44.72 43.49 2gsb s GLY 36 CO 0.76 -1.10 0.21 -0.18 0.00 0.00 0.00 173.10 172.79 2gsb n GLN 37 N -2.11 0.45 0.00 2.90 7.27 -1.25 -4.23 117.38 120.41 2gsb n GLN 37 Ca 0.05 -2.97 0.03 0.00 0.07 0.00 0.00 57.00 54.18 2gsb n GLN 37 Cb 0.59 2.14 0.11 0.00 2.41 0.00 0.00 30.24 35.49 2gsb n GLN 37 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2gsb n VAL 38 N -0.65 1.65 -1.47 1.69 0.31 -1.26 -1.25 118.33 117.36 2gsb n VAL 38 Ca 0.03 0.42 0.04 0.00 -0.01 0.00 0.00 64.34 64.82 2gsb n VAL 38 Cb 0.53 -1.34 0.20 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.94 1.78 0.36 0.00 0.15 -0.38 -3.10 113.70 109.56 2gsb s SER 40 Ca 0.39 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.69 2gsb s SER 40 Cb 0.37 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2gsb s SER 40 CO -0.03 0.11 0.13 0.72 1.20 0.00 0.00 173.24 175.37 2gsb s PHE 41 N -0.64 1.75 0.04 3.44 -0.71 -1.25 -3.52 117.98 117.10 2gsb s PHE 41 Ca 0.04 -1.26 -0.27 0.00 -1.04 0.00 0.00 56.93 54.40 2gsb s PHE 41 Cb -0.07 -1.07 0.09 0.00 -1.21 0.00 0.00 43.02 40.76 2gsb s PHE 41 CO 0.01 -0.33 0.75 -0.48 -1.34 0.00 0.00 175.22 173.83 2gsb s LEU 42 N -3.50 -0.49 0.03 -1.99 0.05 -0.88 -1.85 118.68 110.05 2gsb s LEU 42 Ca 0.30 0.13 0.08 0.00 0.05 0.00 0.00 54.13 54.70 2gsb s LEU 42 Cb 0.04 2.31 -0.03 0.00 -2.05 0.00 0.00 46.19 46.47 2gsb s LEU 42 CO 0.16 -0.74 -0.25 -0.69 -0.55 0.00 0.00 176.35 174.29 2gsb s VAL 43 N -2.94 1.98 0.01 1.48 1.01 -1.09 -1.25 120.40 119.60 2gsb s VAL 43 Ca 0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 2gsb s VAL 43 Cb -0.01 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2gsb s VAL 43 CO -0.07 0.36 0.01 -0.13 0.00 0.00 0.00 175.10 175.27 2gsb s ARG 44 N -1.10 0.27 0.05 2.72 0.52 -0.29 -0.16 118.95 120.96 2gsb s ARG 44 Ca 0.10 -0.41 -0.31 0.00 -0.52 0.00 0.00 55.73 54.60 2gsb s ARG 44 Cb -0.10 0.10 -0.07 0.00 0.52 0.00 0.00 34.95 35.41 2gsb s ARG 44 CO 0.01 -0.05 1.41 -1.25 0.02 0.00 0.00 175.30 175.44 2gsb s PRO 45 N -1.07 4.30 -0.21 3.54 0.04 -1.26 -0.61 135.00 139.72 2gsb s PRO 45 Ca -0.12 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 2gsb s PRO 45 Cb -0.07 -3.45 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 2gsb s PRO 45 CO -0.00 -0.53 2.14 0.43 0.04 0.00 0.00 177.00 179.08 2gsb n SER 46 N 4.83 3.07 0.14 6.66 7.64 -0.75 -4.86 113.62 130.36 2gsb n SER 46 Ca 0.13 0.44 -0.12 0.00 1.01 0.00 0.00 58.87 60.32 2gsb n SER 46 Cb 0.43 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.11 2gsb n SER 46 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2gsb h ASP 47 N 13.06 -0.34 -0.35 6.43 3.32 -1.91 -3.28 116.42 133.35 2gsb h ASP 47 Ca -0.39 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 56.53 2gsb h ASP 47 Cb 1.27 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.84 2gsb h ASP 47 CO 0.97 0.09 -0.09 0.78 -1.72 0.00 0.00 179.24 179.27 2gsb h ASN 48 N -0.84 -0.32 -3.30 6.45 4.21 -2.01 -3.39 115.58 116.38 2gsb h ASN 48 Ca -0.04 0.10 -0.66 0.00 1.21 0.00 0.00 56.30 56.91 2gsb h ASN 48 Cb 0.52 0.22 -0.30 0.00 -1.12 0.00 0.00 38.32 37.64 2gsb h ASN 48 CO 0.07 -0.11 -0.76 -0.89 -1.29 0.00 0.00 177.43 174.44 2gsb s THR 49 N -6.21 2.99 0.11 2.81 2.01 -1.24 -5.09 115.64 111.02 2gsb s THR 49 Ca -0.14 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 60.93 2gsb s THR 49 Cb 0.13 -2.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 2gsb s THR 49 CO 0.70 0.46 1.36 -2.16 -0.69 0.00 0.00 174.62 174.29 2gsb s PRO 50 N 1.36 4.34 0.00 4.92 0.04 -1.25 -3.29 135.00 141.11 2gsb s PRO 50 Ca 0.05 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2gsb s PRO 50 Cb -0.14 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2gsb s PRO 50 CO -0.05 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2gsb n GLY 51 N 3.39 3.08 3.34 0.56 0.00 -1.26 -5.05 105.19 109.25 2gsb n GLY 51 Ca 0.11 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2gsb n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gsb s ASP 52 N 0.00 -0.65 0.10 1.61 1.11 -1.21 -4.84 116.67 112.79 2gsb s ASP 52 Ca 0.00 0.99 -0.02 0.00 0.18 0.00 0.00 52.55 53.70 2gsb s ASP 52 Cb 0.00 -1.44 -0.04 0.00 1.07 0.00 0.00 42.92 42.51 2gsb s ASP 52 CO 0.00 -5.13 0.04 -0.31 1.18 0.00 0.00 175.17 170.95 2gsb s TYR 53 N -2.32 0.68 -0.10 4.23 2.02 -1.11 -1.81 117.35 118.94 2gsb s TYR 53 Ca 0.69 -1.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.22 2gsb s TYR 53 Cb -0.16 -0.41 0.05 0.00 -0.40 0.00 0.00 41.96 41.05 2gsb s TYR 53 CO 0.59 -0.47 0.21 -1.12 -1.57 0.00 0.00 175.55 173.19 2gsb s SER 54 N -2.99 0.40 0.39 2.29 0.01 0.22 -2.59 113.70 111.44 2gsb s SER 54 Ca 0.16 0.47 0.01 0.00 1.31 0.00 0.00 55.95 57.90 2gsb s SER 54 Cb 0.07 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.75 2gsb s SER 54 CO -0.03 -0.23 0.60 -0.22 0.41 0.00 0.00 173.24 173.77 2gsb s LEU 55 N 2.15 3.85 -0.10 2.44 0.20 -1.26 -1.14 118.68 124.82 2gsb s LEU 55 Ca 0.00 0.33 -0.04 0.00 0.69 0.00 0.00 54.13 55.11 2gsb s LEU 55 Cb -0.12 -3.21 0.05 0.00 -0.43 0.00 0.00 46.19 42.48 2gsb s LEU 55 CO -0.07 -0.49 0.21 -0.31 -0.29 0.00 0.00 176.35 175.40 2gsb s TYR 56 N -2.41 -0.29 0.02 5.38 2.02 -0.38 -2.74 117.35 118.94 2gsb s TYR 56 Ca 0.44 0.76 0.04 0.00 -0.37 0.00 0.00 57.07 57.94 2gsb s TYR 56 Cb -0.10 -0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 2gsb s TYR 56 CO 0.37 -0.28 -0.14 0.12 -1.57 0.00 0.00 175.55 174.05 2gsb s PHE 57 N 1.98 1.20 -0.01 2.71 5.36 -1.25 -2.08 117.98 125.90 2gsb s PHE 57 Ca -0.02 -0.30 -0.17 0.00 -0.96 0.00 0.00 56.93 55.49 2gsb s PHE 57 Cb -0.12 -0.74 -0.06 0.00 -0.34 0.00 0.00 43.02 41.77 2gsb s PHE 57 CO -0.07 0.01 0.47 0.50 -1.46 0.00 0.00 175.22 174.67 2gsb s ARG 58 N -0.78 4.10 0.35 10.12 6.06 -1.23 -0.43 118.95 137.13 2gsb s ARG 58 Ca 0.03 0.51 0.04 0.00 -2.50 0.00 0.00 55.73 53.81 2gsb s ARG 58 Cb -0.07 -3.27 -0.01 0.00 0.06 0.00 0.00 34.95 31.66 2gsb s ARG 58 CO 0.00 0.55 0.13 0.25 -2.50 0.00 0.00 175.30 173.74 2gsb n THR 59 N 2.21 0.00 0.14 4.11 -2.24 -1.05 -4.45 114.28 113.01 2gsb n THR 59 Ca -0.11 -2.06 -0.14 0.00 -2.27 0.00 0.00 64.05 59.46 2gsb n THR 59 Cb 0.52 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 2gsb n THR 59 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2gsb h ASN 60 N 1.43 -1.11 0.68 3.42 7.08 -1.98 -3.21 115.58 121.89 2gsb h ASN 60 Ca -0.27 0.12 -0.03 0.00 -3.08 0.00 0.00 56.30 53.03 2gsb h ASN 60 Cb 1.05 0.41 0.01 0.00 -2.08 0.00 0.00 38.32 37.71 2gsb h ASN 60 CO 0.43 -0.48 -0.33 -0.08 -2.08 0.00 0.00 177.43 174.90 2gsb h GLU 61 N -0.65 -0.88 0.00 4.14 4.22 -2.02 -3.49 114.58 115.89 2gsb h GLU 61 Ca 0.01 0.06 0.24 0.00 0.08 0.00 0.00 59.36 59.76 2gsb h GLU 61 Cb 0.66 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2gsb h GLU 61 CO -0.19 -0.59 0.73 -1.71 -2.18 0.00 0.00 179.01 175.07 2gsb n ASN 62 N -5.09 -1.48 -4.74 1.04 2.85 -1.21 -5.14 115.26 101.48 2gsb n ASN 62 Ca -0.11 -1.60 -0.41 0.00 -0.11 0.00 0.00 54.58 52.34 2gsb n ASN 62 Cb 0.36 2.37 -0.03 0.00 1.24 0.00 0.00 39.78 43.72 2gsb n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2gsb s ILE 63 N -2.04 3.35 0.65 -1.44 1.01 -1.26 -2.52 121.20 118.95 2gsb s ILE 63 Ca 0.26 1.13 0.04 0.00 0.00 0.00 0.00 60.65 62.09 2gsb s ILE 63 Cb -0.02 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.85 2gsb s ILE 63 CO 0.03 0.18 0.90 0.00 0.00 0.00 0.00 174.94 176.04 2gsb n GLN 64 N 2.49 0.23 -3.63 2.79 6.02 0.43 -4.95 117.38 120.75 2gsb n GLN 64 Ca 0.05 -2.87 -0.20 0.00 -0.01 0.00 0.00 57.00 53.97 2gsb n GLN 64 Cb 0.44 -0.46 -0.16 0.00 1.02 0.00 0.00 30.24 31.07 2gsb n GLN 64 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2gsb s ARG 65 N -4.85 0.03 0.61 -1.09 3.52 -1.26 -3.81 118.95 112.10 2gsb s ARG 65 Ca 0.63 0.33 0.02 0.00 -0.13 0.00 0.00 55.73 56.58 2gsb s ARG 65 Cb -0.04 -0.79 0.07 0.00 -1.56 0.00 0.00 34.95 32.64 2gsb s ARG 65 CO 0.41 -0.44 0.84 -0.06 -0.81 0.00 0.00 175.30 175.25 2gsb s PHE 66 N 2.23 2.18 -0.13 5.12 0.08 -1.11 -5.01 117.98 121.35 2gsb s PHE 66 Ca 0.04 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 2gsb s PHE 66 Cb -0.13 -2.74 0.05 0.00 -0.57 0.00 0.00 43.02 39.63 2gsb s PHE 66 CO -0.07 -1.19 0.05 0.15 -0.10 0.00 0.00 175.22 174.07 2gsb s LYS 67 N -4.86 0.31 -0.56 0.44 1.02 -1.26 -4.10 119.74 110.73 2gsb s LYS 67 Ca 0.61 -0.05 -0.07 0.00 0.02 0.00 0.00 55.97 56.48 2gsb s LYS 67 Cb -0.08 -1.50 0.14 0.00 -0.52 0.00 0.00 37.83 35.88 2gsb s LYS 67 CO 0.40 -0.53 0.41 0.42 -0.92 0.00 0.00 175.35 175.13 2gsb s ILE 68 N 2.03 4.10 -0.05 2.17 1.01 -1.07 -4.17 121.20 125.24 2gsb s ILE 68 Ca 0.02 -2.27 -0.19 0.00 0.00 0.00 0.00 60.65 58.21 2gsb s ILE 68 Cb -0.15 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2gsb s ILE 68 CO -0.07 -0.83 0.52 0.00 0.00 0.00 0.00 174.94 174.56 2gsb s PRO 70 N -0.02 2.83 0.03 0.00 0.04 -1.26 -0.68 135.00 135.94 2gsb s PRO 70 Ca 0.28 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.78 2gsb s PRO 70 Cb -0.17 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2gsb s PRO 70 CO 0.14 -1.23 -0.16 0.95 0.04 0.00 0.00 177.00 176.73 2gsb s THR 71 N -2.31 1.30 -0.84 1.26 -4.23 -0.96 -4.82 115.64 105.05 2gsb s THR 71 Ca 0.67 -1.02 0.17 0.00 -1.18 0.00 0.00 61.69 60.33 2gsb s THR 71 Cb -0.21 -1.15 0.16 0.00 1.34 0.00 0.00 72.50 72.64 2gsb s THR 71 CO 0.41 0.11 1.53 -0.81 -0.54 0.00 0.00 174.62 175.32 2gsb n PRO 72 N 1.98 0.06 -0.37 3.99 -0.04 -1.26 -2.60 135.00 136.76 2gsb n PRO 72 Ca -0.17 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2gsb n PRO 72 Cb 0.54 -1.62 0.15 0.00 -0.04 0.00 0.00 33.50 32.53 2gsb n PRO 72 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gsb n ASN 73 N -1.73 2.91 -3.42 3.54 4.13 -1.26 -4.85 115.26 114.58 2gsb n ASN 73 Ca 0.03 -2.40 -0.21 0.00 1.68 0.00 0.00 54.58 53.68 2gsb n ASN 73 Cb 0.18 -0.58 0.08 0.00 -1.54 0.00 0.00 39.78 37.92 2gsb n ASN 73 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2gsb n ASN 74 N 0.19 -5.22 -2.40 6.41 4.13 -1.07 -5.00 115.26 112.30 2gsb n ASN 74 Ca 0.13 -0.53 -0.12 0.00 1.68 0.00 0.00 54.58 55.73 2gsb n ASN 74 Cb 0.67 -4.85 -0.05 0.00 -1.54 0.00 0.00 39.78 34.01 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gsb n GLN 75 N -4.61 0.28 -4.47 3.52 1.13 -1.23 -4.80 117.38 107.19 2gsb n GLN 75 Ca -0.06 -2.05 -0.20 0.00 -1.94 0.00 0.00 57.00 52.75 2gsb n GLN 75 Cb 0.58 1.65 -0.15 0.00 0.11 0.00 0.00 30.24 32.44 2gsb n GLN 75 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2gsb s PHE 76 N -2.81 1.02 -0.28 1.08 0.40 0.11 -2.26 117.98 115.24 2gsb s PHE 76 Ca 0.24 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.34 2gsb s PHE 76 Cb 0.01 -0.65 0.04 0.00 0.51 0.00 0.00 43.02 42.93 2gsb s PHE 76 CO 0.17 -0.01 -0.03 -1.64 0.70 0.00 0.00 175.22 174.41 2gsb s MET 77 N -0.39 2.54 -0.10 0.44 -1.94 0.14 -0.81 119.30 119.19 2gsb s MET 77 Ca 0.04 -1.18 -0.00 0.00 -1.71 0.00 0.00 55.69 52.84 2gsb s MET 77 Cb -0.05 -3.09 -0.06 0.00 2.01 0.00 0.00 34.83 33.64 2gsb s MET 77 CO -0.00 -0.54 -0.09 -0.12 -0.01 0.00 0.00 175.02 174.25 2gsb n MET 78 N 4.62 0.23 -3.11 2.03 0.00 -1.26 0.06 117.12 119.69 2gsb n MET 78 Ca -0.14 0.06 -0.19 0.00 0.00 0.00 0.00 57.70 57.42 2gsb n MET 78 Cb 0.44 -1.14 -0.03 0.00 0.00 0.00 0.00 33.22 32.49 2gsb n MET 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gsb n GLY 79 N 2.96 2.67 2.77 -5.12 0.00 -1.26 -4.48 105.19 102.73 2gsb n GLY 79 Ca -0.17 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 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 0.99 0.44 3.73 -0.02 0.00 -1.26 -4.95 105.19 104.12 2gsb n GLY 80 Ca 0.20 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.09 2.14 -0.12 1.61 1.81 -1.26 -5.14 118.95 115.90 2gsb s ARG 81 Ca 0.00 -2.33 -0.01 0.00 -1.72 0.00 0.00 55.73 51.67 2gsb s ARG 81 Cb 0.00 -1.56 0.03 0.00 -0.45 0.00 0.00 34.95 32.97 2gsb s ARG 81 CO 0.00 -0.29 -0.05 0.71 -0.68 0.00 0.00 175.30 174.99 2gsb s TYR 82 N -2.84 1.36 0.45 -0.53 2.02 -1.25 -4.01 117.35 112.55 2gsb s TYR 82 Ca 0.13 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 56.16 2gsb s TYR 82 Cb 0.04 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2gsb s TYR 82 CO 0.07 -0.51 0.11 0.71 -1.57 0.00 0.00 175.55 174.35 2gsb s TYR 83 N 1.75 2.32 -0.05 2.71 1.51 0.01 -4.83 117.35 120.76 2gsb s TYR 83 Ca 0.04 -0.72 -0.20 0.00 -1.01 0.00 0.00 57.07 55.18 2gsb s TYR 83 Cb -0.13 -1.82 -0.15 0.00 -0.11 0.00 0.00 41.96 39.75 2gsb s TYR 83 CO -0.08 0.22 0.83 -0.97 -1.11 0.00 0.00 175.55 174.44 2gsb h ASN 84 N 1.46 -0.20 -5.23 2.29 -0.73 -1.88 0.32 115.58 111.60 2gsb h ASN 84 Ca -0.43 -0.32 0.15 0.00 1.87 0.00 0.00 56.30 57.57 2gsb h ASN 84 Cb 1.27 0.05 -0.08 0.00 0.27 0.00 0.00 38.32 39.83 2gsb h ASN 84 CO 0.73 0.34 0.43 -0.94 -0.37 0.00 0.00 177.43 177.62 2gsb s SER 85 N -5.43 -0.20 0.15 1.15 1.04 -1.26 -4.40 113.70 104.74 2gsb s SER 85 Ca -0.12 -0.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.59 2gsb s SER 85 Cb 0.00 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2gsb s SER 85 CO 0.45 -0.99 1.56 0.40 0.98 0.00 0.00 173.24 175.64 2gsb h ILE 86 N 2.00 0.06 -0.91 -1.02 2.04 -1.99 -0.21 117.51 117.48 2gsb h ILE 86 Ca -0.23 0.00 0.22 0.00 1.00 0.00 0.00 64.86 65.85 2gsb h ILE 86 Cb 1.24 0.06 -0.17 0.00 -0.74 0.00 0.00 36.82 37.21 2gsb h ILE 86 CO 0.25 0.00 -0.04 1.23 0.00 0.00 0.00 178.15 179.59 2gsb h GLY 87 N -0.32 1.00 0.74 5.37 0.00 -2.01 -0.84 103.07 107.01 2gsb h GLY 87 Ca 0.13 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 2gsb h GLY 87 CO -0.62 -0.41 -0.24 -1.80 0.00 0.00 0.00 176.54 173.47 2gsb h ASP 88 N 0.04 -0.56 -0.99 0.19 1.82 -1.51 -2.99 116.42 112.41 2gsb h ASP 88 Ca 0.51 -0.07 0.28 0.00 -0.39 0.00 0.00 57.03 57.36 2gsb h ASP 88 Cb 0.95 0.15 -0.18 0.00 0.68 0.00 0.00 39.33 40.93 2gsb h ASP 88 CO -0.86 -0.22 0.04 -0.38 -1.61 0.00 0.00 179.24 176.21 2gsb n ILE 89 N -5.28 -0.42 0.26 2.25 5.41 -0.35 -0.20 119.36 121.04 2gsb n ILE 89 Ca -0.11 2.17 -0.16 0.00 1.00 0.00 0.00 62.75 65.65 2gsb n ILE 89 Cb 0.31 -3.19 -0.08 0.00 -0.71 0.00 0.00 39.64 35.98 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 0.42 -0.76 1.39 2.04 -1.27 0.87 117.51 120.21 2gsb h ILE 90 Ca 0.61 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.59 2gsb h ILE 90 Cb 1.28 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 2gsb h ILE 90 CO -0.92 0.00 0.36 0.44 0.00 0.00 0.00 178.15 178.02 2gsb h ASP 91 N -0.70 0.41 0.43 1.72 5.19 -0.44 -0.08 116.42 122.95 2gsb h ASP 91 Ca -0.05 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2gsb h ASP 91 Cb 0.57 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2gsb h ASP 91 CO 0.05 0.20 -0.20 -0.74 -3.12 0.00 0.00 179.24 175.42 2gsb h HIS 92 N 0.55 -0.53 -1.00 4.55 2.76 -0.75 -2.99 115.15 117.73 2gsb h HIS 92 Ca 0.40 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.72 2gsb h HIS 92 Cb 0.53 0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.56 2gsb h HIS 92 CO -0.12 -0.24 0.62 1.88 -1.30 0.00 0.00 177.93 178.76 2gsb h TYR 93 N -0.75 1.10 -0.40 5.26 0.05 -0.35 0.26 116.97 122.14 2gsb h TYR 93 Ca -0.06 0.03 0.12 0.00 0.05 0.00 0.00 58.73 58.87 2gsb h TYR 93 Cb 0.52 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2gsb h TYR 93 CO -0.01 0.31 0.43 0.00 -1.05 0.00 0.00 178.16 177.84 2gsb h ARG 94 N 0.84 0.00 0.00 4.88 3.08 -0.87 0.23 114.38 122.54 2gsb h ARG 94 Ca 0.55 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.38 2gsb h ARG 94 Cb 0.76 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 2gsb h ARG 94 CO -0.34 0.00 -1.68 1.63 -1.07 0.00 0.00 179.97 178.51 2gsb n LYS 95 N -3.73 0.64 -3.97 0.04 4.76 0.86 -4.71 118.16 112.05 2gsb n LYS 95 Ca 0.07 0.19 -0.30 0.00 -2.87 0.00 0.00 58.31 55.40 2gsb n LYS 95 Cb 0.60 -1.74 -0.16 0.00 -1.84 0.00 0.00 35.03 31.89 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2gsb s GLU 96 N -2.80 1.88 -0.37 1.97 8.01 0.79 -5.07 118.70 123.12 2gsb s GLU 96 Ca -0.05 -0.79 -0.34 0.00 0.01 0.00 0.00 54.97 53.80 2gsb s GLU 96 Cb 0.08 -2.35 -0.14 0.00 -4.31 0.00 0.00 34.13 27.41 2gsb s GLU 96 CO 0.82 -0.44 1.26 0.00 0.01 0.00 0.00 175.26 176.91 2gsb n GLN 97 N 4.72 0.00 0.21 1.61 10.64 -1.24 -4.51 117.38 128.81 2gsb n GLN 97 Ca -0.14 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.12 2gsb n GLN 97 Cb 0.47 -1.10 0.41 0.00 -0.86 0.00 0.00 30.24 29.16 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 3.99 0.65 -0.39 -0.39 2.10 -1.48 -3.46 117.51 118.53 2gsb h ILE 98 Ca -0.27 -1.26 -0.64 0.00 1.08 0.00 0.00 64.86 63.77 2gsb h ILE 98 Cb 1.01 1.83 -0.09 0.00 -1.09 0.00 0.00 36.82 38.48 2gsb h ILE 98 CO 0.74 0.27 -0.42 -0.69 -1.08 0.00 0.00 178.15 176.96 2gsb s VAL 99 N -3.62 1.34 0.35 2.19 1.01 -1.10 -4.99 120.40 115.57 2gsb s VAL 99 Ca 0.01 -1.78 0.15 0.00 0.00 0.00 0.00 61.98 60.36 2gsb s VAL 99 Cb 0.10 -2.11 0.36 0.00 0.00 0.00 0.00 36.38 34.73 2gsb s VAL 99 CO 0.65 0.00 1.54 -1.84 0.00 0.00 0.00 175.10 175.45 2gsb n GLU 100 N -1.50 -0.06 -2.26 2.72 -0.00 -1.26 -3.42 120.64 114.86 2gsb n GLU 100 Ca -0.12 1.38 -0.03 0.00 -0.00 0.00 0.00 57.16 58.39 2gsb n GLU 100 Cb 0.66 -2.40 0.08 0.00 -0.00 0.00 0.00 31.44 29.79 2gsb n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gsb n GLY 101 N -1.32 1.51 3.15 -1.84 0.00 -1.26 -5.07 105.19 100.37 2gsb n GLY 101 Ca 0.33 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 0.10 1.65 0.17 1.61 2.02 -1.22 -5.07 117.35 116.61 2gsb s TYR 102 Ca 0.07 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 2gsb s TYR 102 Cb 0.33 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 2gsb s TYR 102 CO -0.10 -0.09 -0.00 0.71 -1.57 0.00 0.00 175.55 174.50 2gsb s TYR 103 N -0.19 2.84 -0.68 2.71 1.51 -1.26 -1.61 117.35 120.67 2gsb s TYR 103 Ca 0.02 -0.14 -0.27 0.00 -1.01 0.00 0.00 57.07 55.66 2gsb s TYR 103 Cb -0.09 -1.38 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 2gsb s TYR 103 CO 0.01 0.52 1.25 -0.51 -1.11 0.00 0.00 175.55 175.71 2gsb s LEU 104 N -2.95 3.26 0.00 -1.29 1.43 -1.26 -4.86 118.68 113.01 2gsb s LEU 104 Ca 0.27 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2gsb s LEU 104 Cb -0.09 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.35 2gsb s LEU 104 CO 0.19 -1.72 0.11 0.29 0.23 0.00 0.00 176.35 175.45 2gsb n LYS 105 N 9.05 0.00 -3.75 1.70 4.76 -1.19 -4.74 118.16 123.99 2gsb n LYS 105 Ca 0.05 0.44 -0.13 0.00 -2.87 0.00 0.00 58.31 55.80 2gsb n LYS 105 Cb 0.49 -1.00 -0.11 0.00 -1.84 0.00 0.00 35.03 32.57 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 -1.11 0.40 0.73 1.97 -1.05 -1.18 -5.08 118.70 113.38 2gsb s GLU 106 Ca 0.00 0.50 -0.12 0.00 -0.15 0.00 0.00 54.97 55.20 2gsb s GLU 106 Cb 0.00 0.18 0.03 0.00 -0.44 0.00 0.00 34.13 33.90 2gsb s GLU 106 CO 0.00 -0.06 1.10 -1.25 0.95 0.00 0.00 175.26 176.00 2gsb s PRO 107 N 0.28 2.47 -0.10 -4.83 0.04 -1.26 -3.79 135.00 127.82 2gsb s PRO 107 Ca -0.01 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 2gsb s PRO 107 Cb -0.03 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2gsb s PRO 107 CO -0.01 -1.49 1.48 0.08 0.04 0.00 0.00 177.00 177.11 2gsb s VAL 108 N -2.66 3.88 0.45 -0.36 1.01 -0.77 -4.84 120.40 117.10 2gsb s VAL 108 Ca 0.64 1.07 -0.23 0.00 0.00 0.00 0.00 61.98 63.45 2gsb s VAL 108 Cb -0.19 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 2gsb s VAL 108 CO 0.50 -0.09 1.17 -2.16 0.00 0.00 0.00 175.10 174.52 2gsb s PRO 109 N 3.76 3.80 1.13 2.72 0.04 -1.26 -4.57 135.00 140.62 2gsb s PRO 109 Ca 0.65 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 2gsb s PRO 109 Cb -0.28 -2.45 0.20 0.00 0.04 0.00 0.00 34.50 32.01 2gsb s PRO 109 CO 0.23 -0.52 0.38 -1.33 0.04 0.00 0.00 177.00 175.80 2gsb n MET 110 N -0.40 -2.64 -3.39 4.56 2.81 -1.26 -4.93 117.12 111.87 2gsb n MET 110 Ca 0.07 -0.78 -0.34 0.00 -1.81 0.00 0.00 57.70 54.84 2gsb n MET 110 Cb 0.48 -1.63 -0.05 0.00 -0.71 0.00 0.00 33.22 31.31 2gsb n MET 110 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2gsb n GLN 111 N -2.71 3.05 -2.05 0.03 3.00 -1.26 -5.02 117.38 112.42 2gsb n GLN 111 Ca 0.06 -4.58 -0.35 0.00 -0.01 0.00 0.00 57.00 52.12 2gsb n GLN 111 Cb 0.46 -2.37 -0.04 0.00 0.00 0.00 0.00 30.24 28.30 2gsb n GLN 111 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2gsb s ASP 112 N -1.62 5.24 0.01 1.08 2.15 -1.26 -4.96 116.67 117.31 2gsb s ASP 112 Ca 0.33 -0.02 0.03 0.00 0.43 0.00 0.00 52.55 53.33 2gsb s ASP 112 Cb 0.05 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2gsb s ASP 112 CO -0.02 -2.50 -0.05 -1.58 -0.17 0.00 0.00 175.17 170.85 2gsb s GLN 113 N 7.01 2.58 -0.16 4.34 0.74 -1.26 -5.02 119.66 127.89 2gsb s GLN 113 Ca 0.68 -0.72 0.15 0.00 0.05 0.00 0.00 55.36 55.52 2gsb s GLN 113 Cb -0.10 -2.53 0.43 0.00 1.10 0.00 0.00 33.01 31.90 2gsb s GLN 113 CO 0.13 0.60 1.20 0.43 -0.55 0.00 0.00 175.29 177.10 2gsb n SER 114 N 1.43 1.69 0.00 6.67 7.64 -1.26 -5.05 113.62 124.73 2gsb n SER 114 Ca -0.15 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.41 2gsb n SER 114 Cb 0.52 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2gsb n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gsb n GLY 115 N -0.63 5.45 3.57 0.23 0.00 -1.26 -5.08 105.19 107.47 2gsb n GLY 115 Ca 0.16 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 1.70 2.98 0.02 1.61 0.04 -1.26 -4.91 135.00 135.18 2gsb s PRO 116 Ca 0.00 0.94 -0.32 0.00 0.04 0.00 0.00 61.00 61.66 2gsb s PRO 116 Cb 0.00 -4.28 -0.16 0.00 0.04 0.00 0.00 34.50 30.10 2gsb s PRO 116 CO 0.00 -2.29 0.85 0.45 0.04 0.00 0.00 177.00 176.05 2gsb n SER 117 N 11.44 -0.11 -4.01 6.66 2.88 -1.26 -4.94 113.62 124.28 2gsb n SER 117 Ca 0.21 0.96 -0.16 0.00 -1.33 0.00 0.00 58.87 58.55 2gsb n SER 117 Cb 0.50 -0.77 0.08 0.00 -0.75 0.00 0.00 64.21 63.26 2gsb n SER 117 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2gsb n SER 118 N 1.29 1.21 0.00 -3.46 2.88 -1.26 -5.25 113.62 109.03 2gsb n SER 118 Ca 0.17 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.75 2gsb n SER 118 Cb 0.08 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2gsb n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42