#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb h SER 2 N 0.00 -0.18 -2.80 1.61 0.87 -2.08 -3.39 113.55 107.60 2gsb h SER 2 Ca 0.00 0.01 -0.76 0.00 -1.23 0.00 0.00 61.79 59.80 2gsb h SER 2 Cb 0.00 0.05 -0.22 0.00 -0.44 0.00 0.00 62.40 61.78 2gsb h SER 2 CO 0.00 -0.01 0.93 -0.55 -0.53 0.00 0.00 176.83 176.67 2gsb s SER 3 N -3.53 7.15 0.51 6.23 0.15 -1.26 -4.99 113.70 117.97 2gsb s SER 3 Ca -0.03 -3.20 0.01 0.00 0.70 0.00 0.00 55.95 53.43 2gsb s SER 3 Cb 0.00 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2gsb s SER 3 CO 0.09 -0.57 0.01 -0.83 1.20 0.00 0.00 173.24 173.15 2gsb s GLY 4 N 2.22 3.02 0.01 9.45 0.00 -1.26 -5.08 107.32 115.68 2gsb s GLY 4 Ca 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2gsb s GLY 4 CO -0.04 -2.18 0.00 -1.14 0.00 0.00 0.00 173.10 169.74 2gsb n SER 5 N -1.28 0.03 -4.52 1.64 3.41 -1.26 -5.05 113.62 106.60 2gsb n SER 5 Ca -0.19 0.01 -0.56 0.00 -0.26 0.00 0.00 58.87 57.87 2gsb n SER 5 Cb 0.67 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 2gsb n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2gsb n SER 6 N -2.85 0.37 -4.43 4.04 7.64 -1.26 -4.95 113.62 112.18 2gsb n SER 6 Ca 0.00 1.15 -0.29 0.00 1.01 0.00 0.00 58.87 60.74 2gsb n SER 6 Cb 0.31 -1.00 -0.12 0.00 -1.01 0.00 0.00 64.21 62.39 2gsb n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gsb s GLY 7 N 0.06 1.64 -0.20 0.23 0.00 -1.26 -5.10 107.32 102.69 2gsb s GLY 7 Ca 0.87 -1.48 -0.21 0.00 0.00 0.00 0.00 44.72 43.90 2gsb s GLY 7 CO 0.54 -1.47 0.66 0.50 0.00 0.00 0.00 173.10 173.33 2gsb s ARG 8 N -2.22 4.22 0.23 2.90 0.52 -1.26 -5.00 118.95 118.33 2gsb s ARG 8 Ca 0.17 0.67 -0.25 0.00 -0.52 0.00 0.00 55.73 55.80 2gsb s ARG 8 Cb -0.10 -3.58 -0.16 0.00 0.52 0.00 0.00 34.95 31.64 2gsb s ARG 8 CO 0.08 -0.27 0.39 0.39 0.02 0.00 0.00 175.30 175.91 2gsb n GLU 9 N 5.12 0.00 -4.36 3.54 4.71 -1.26 -4.97 120.64 123.43 2gsb n GLU 9 Ca -0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.90 2gsb n GLU 9 Cb 0.49 -0.93 -0.09 0.00 -1.01 0.00 0.00 31.44 29.91 2gsb n GLU 9 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2gsb s GLU 10 N -0.93 2.04 0.04 3.49 -1.05 -1.26 -5.13 118.70 115.90 2gsb s GLU 10 Ca 0.58 -1.71 -0.12 0.00 -0.15 0.00 0.00 54.97 53.57 2gsb s GLU 10 Cb -0.80 -1.93 -0.06 0.00 -0.44 0.00 0.00 34.13 30.90 2gsb s GLU 10 CO 0.54 0.20 0.41 -0.51 0.95 0.00 0.00 175.26 176.84 2gsb s ASP 11 N -3.67 6.73 0.05 0.83 1.11 -1.26 -5.01 116.67 115.44 2gsb s ASP 11 Ca 0.33 0.88 -0.19 0.00 0.18 0.00 0.00 52.55 53.75 2gsb s ASP 11 Cb -0.02 -2.22 -0.13 0.00 1.07 0.00 0.00 42.92 41.62 2gsb s ASP 11 CO 0.19 0.25 1.36 1.55 1.18 0.00 0.00 175.17 179.69 2gsb h PRO 12 N 4.21 0.42 0.00 8.23 0.13 -2.00 -2.98 132.00 140.01 2gsb h PRO 12 Ca -0.50 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2gsb h PRO 12 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2gsb h PRO 12 CO 0.64 0.79 0.00 1.25 -0.23 0.00 0.00 178.00 180.44 2gsb h HIS 13 N 0.07 0.00 -0.63 1.56 2.76 -2.00 -0.62 115.15 116.28 2gsb h HIS 13 Ca 0.03 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.00 2gsb h HIS 13 Cb 0.71 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.56 2gsb h HIS 13 CO 0.08 0.00 0.25 0.39 -1.30 0.00 0.00 177.93 177.35 2gsb n GLU 14 N -3.05 3.23 -0.39 5.26 1.02 -1.13 -4.06 120.64 121.52 2gsb n GLU 14 Ca -0.02 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 2gsb n GLU 14 Cb 0.11 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 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 -0.11 0.70 3.76 0.62 0.00 -0.25 -4.92 105.19 104.99 2gsb n GLY 15 Ca 0.35 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 3.41 0.24 1.61 -0.14 -1.13 -4.89 119.74 118.84 2gsb s LYS 16 Ca 0.00 2.34 -0.05 0.00 -1.36 0.00 0.00 55.97 56.90 2gsb s LYS 16 Cb 0.00 -2.46 0.40 0.00 -1.68 0.00 0.00 37.83 34.09 2gsb s LYS 16 CO 0.00 -1.01 1.78 0.97 -0.76 0.00 0.00 175.35 176.33 2gsb h ILE 17 N 1.88 0.82 0.00 2.17 2.10 -1.93 0.19 117.51 122.74 2gsb h ILE 17 Ca -0.51 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.21 2gsb h ILE 17 Cb 1.28 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 2gsb h ILE 17 CO 0.59 0.12 0.00 -2.67 -1.08 0.00 0.00 178.15 175.11 2gsb n TRP 18 N -4.85 0.90 -3.07 2.19 4.27 -1.26 -4.43 117.44 111.19 2gsb n TRP 18 Ca 0.13 0.29 -0.35 0.00 -3.89 0.00 0.00 57.50 53.68 2gsb n TRP 18 Cb 0.32 -0.97 -0.06 0.00 -1.36 0.00 0.00 31.31 29.24 2gsb n TRP 18 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2gsb s PHE 19 N -3.17 3.57 -0.18 -2.67 5.36 0.66 -1.01 117.98 120.54 2gsb s PHE 19 Ca 0.09 1.39 -0.04 0.00 -0.96 0.00 0.00 56.93 57.40 2gsb s PHE 19 Cb 0.11 -2.63 0.08 0.00 -0.34 0.00 0.00 43.02 40.24 2gsb s PHE 19 CO 0.53 0.25 0.20 -1.01 -1.46 0.00 0.00 175.22 173.73 2gsb s HIS 20 N -1.67 -0.20 0.00 10.12 3.76 0.15 -4.67 115.29 122.79 2gsb s HIS 20 Ca 0.47 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 2gsb s HIS 20 Cb -0.15 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.16 2gsb s HIS 20 CO 0.20 -0.53 0.00 0.41 -0.85 0.00 0.00 174.74 173.97 2gsb n GLY 21 N 5.32 0.65 0.07 -2.22 0.00 -1.26 -3.81 105.19 103.93 2gsb n GLY 21 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 1.61 6.56 -1.97 -3.47 116.57 119.30 2gsb h LYS 22 Ca 0.00 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.34 2gsb h LYS 22 Cb 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 31.76 2gsb h LYS 22 CO 0.00 0.84 0.22 0.44 -2.06 0.00 0.00 179.45 178.89 2gsb n ILE 23 N -3.26 0.00 -4.43 1.86 -5.35 -1.26 -5.10 119.36 101.82 2gsb n ILE 23 Ca -0.04 -0.53 -0.26 0.00 -0.27 0.00 0.00 62.75 61.65 2gsb n ILE 23 Cb 0.96 -1.63 -0.09 0.00 -1.74 0.00 0.00 39.64 37.13 2gsb n ILE 23 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2gsb s SER 24 N -3.76 4.03 0.07 7.28 0.01 -1.26 -5.02 113.70 115.04 2gsb s SER 24 Ca 0.44 -1.15 -0.36 0.00 1.31 0.00 0.00 55.95 56.19 2gsb s SER 24 Cb -0.02 -0.45 -0.19 0.00 0.21 0.00 0.00 66.02 65.58 2gsb s SER 24 CO 0.31 -0.32 1.55 0.50 0.41 0.00 0.00 173.24 175.69 2gsb h LYS 25 N 1.80 -1.17 -0.66 12.44 3.64 -1.99 -0.83 116.57 129.80 2gsb h LYS 25 Ca -0.43 0.08 0.16 0.00 -1.27 0.00 0.00 60.65 59.20 2gsb h LYS 25 Cb 1.25 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 2gsb h LYS 25 CO 0.72 -0.78 0.46 -0.56 -2.27 0.00 0.00 179.45 177.01 2gsb h GLN 26 N -1.22 0.15 0.30 1.90 -0.00 -2.02 -2.04 115.11 112.20 2gsb h GLN 26 Ca -0.11 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 2gsb h GLN 26 Cb 0.97 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.41 2gsb h GLN 26 CO 0.13 0.10 -0.15 0.93 -0.00 0.00 0.00 178.83 179.84 2gsb h GLU 27 N 0.16 -0.39 -1.13 0.06 3.07 -1.84 -3.06 114.58 111.44 2gsb h GLU 27 Ca 0.32 0.03 0.41 0.00 -0.50 0.00 0.00 59.36 59.62 2gsb h GLU 27 Cb 1.03 0.09 -0.16 0.00 -0.84 0.00 0.00 28.75 28.88 2gsb h GLU 27 CO -0.05 -0.07 0.67 0.00 -1.40 0.00 0.00 179.01 178.16 2gsb h ALA 28 N -0.19 2.36 -0.84 3.43 0.00 -0.41 1.11 119.26 124.72 2gsb h ALA 28 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2gsb h ALA 28 Cb 0.50 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2gsb h ALA 28 CO 0.07 -1.06 0.54 1.88 0.00 0.00 0.00 179.25 180.68 2gsb h TYR 29 N 0.09 1.07 0.08 0.00 0.05 -1.48 -1.83 116.97 114.95 2gsb h TYR 29 Ca 0.82 0.02 -0.20 0.00 0.05 0.00 0.00 58.73 59.42 2gsb h TYR 29 Cb 2.30 -0.36 0.02 0.00 1.01 0.00 0.00 36.73 39.70 2gsb h TYR 29 CO -0.01 0.69 -0.82 -0.97 -1.05 0.00 0.00 178.16 176.01 2gsb h ASN 30 N 1.14 0.57 -0.22 3.88 -1.24 0.11 -3.20 115.58 116.63 2gsb h ASN 30 Ca 0.31 -0.85 0.06 0.00 0.71 0.00 0.00 56.30 56.52 2gsb h ASN 30 Cb -0.10 -0.18 -0.07 0.00 0.73 0.00 0.00 38.32 38.70 2gsb h ASN 30 CO -0.06 1.37 -0.31 -0.07 -1.29 0.00 0.00 177.43 177.06 2gsb h LEU 31 N -0.14 -0.99 -2.33 0.34 3.38 -0.63 0.52 115.31 115.46 2gsb h LEU 31 Ca -0.13 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2gsb h LEU 31 Cb 1.57 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 42.76 2gsb h LEU 31 CO 0.16 -0.34 0.07 -0.07 0.09 0.00 0.00 178.44 178.35 2gsb h LEU 32 N -0.34 0.00 0.00 1.67 3.38 -1.46 0.89 115.31 119.46 2gsb h LEU 32 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2gsb h LEU 32 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2gsb h LEU 32 CO -0.41 0.00 -0.62 0.24 0.09 0.00 0.00 178.44 177.74 2gsb h MET 33 N 0.00 0.00 0.00 1.13 2.86 -0.63 -3.02 114.93 115.27 2gsb h MET 33 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2gsb h MET 33 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2gsb h MET 33 CO -0.00 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.22 2gsb n THR 34 N -2.16 0.00 0.18 2.22 -2.24 0.15 -4.79 114.28 107.64 2gsb n THR 34 Ca 0.03 0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.95 2gsb n THR 34 Cb 0.45 -0.96 0.35 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.10 -1.16 2.28 -1.51 0.40 -3.45 116.25 113.92 2gsb h VAL 35 Ca 0.00 -1.48 -0.46 0.00 -1.23 0.00 0.00 66.70 63.53 2gsb h VAL 35 Cb 0.00 1.84 0.01 0.00 -2.13 0.00 0.00 31.29 31.01 2gsb h VAL 35 CO 0.00 0.39 -0.22 -0.83 -1.23 0.00 0.00 177.57 175.69 2gsb s GLY 36 N -4.35 1.91 0.25 5.19 0.00 0.82 -4.87 107.32 106.28 2gsb s GLY 36 Ca -0.01 -1.85 -0.06 0.00 0.00 0.00 0.00 44.72 42.80 2gsb s GLY 36 CO 0.71 -1.61 0.44 -1.06 0.00 0.00 0.00 173.10 171.57 2gsb n GLN 37 N -1.96 0.63 -1.45 2.90 6.02 -1.14 -4.25 117.38 118.13 2gsb n GLN 37 Ca 0.10 -1.61 -0.42 0.00 -0.01 0.00 0.00 57.00 55.05 2gsb n GLN 37 Cb 0.61 1.80 0.00 0.00 1.02 0.00 0.00 30.24 33.67 2gsb n GLN 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gsb n VAL 38 N -0.36 1.74 -3.40 5.09 0.31 -1.26 -2.25 118.33 118.21 2gsb n VAL 38 Ca -0.03 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.61 2gsb n VAL 38 Cb 0.39 -0.52 0.07 0.00 -0.91 0.00 0.00 33.84 32.87 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 -3.50 2.13 0.08 0.00 1.04 -0.95 -3.04 113.70 109.46 2gsb s SER 40 Ca 0.38 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 2gsb s SER 40 Cb -0.17 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 2gsb s SER 40 CO 0.63 0.13 -0.01 0.72 0.98 0.00 0.00 173.24 175.69 2gsb s PHE 41 N -0.73 0.69 -0.05 5.02 -0.71 -1.25 -1.55 117.98 119.39 2gsb s PHE 41 Ca 0.06 -1.09 -0.29 0.00 -1.04 0.00 0.00 56.93 54.57 2gsb s PHE 41 Cb -0.08 -0.44 0.06 0.00 -1.21 0.00 0.00 43.02 41.35 2gsb s PHE 41 CO 0.01 -0.38 0.63 -0.48 -1.34 0.00 0.00 175.22 173.66 2gsb s LEU 42 N -2.98 -0.46 0.08 -1.99 0.05 -0.82 -2.10 118.68 110.46 2gsb s LEU 42 Ca 0.13 0.64 0.04 0.00 0.05 0.00 0.00 54.13 54.99 2gsb s LEU 42 Cb 0.07 2.37 -0.04 0.00 -2.05 0.00 0.00 46.19 46.55 2gsb s LEU 42 CO -0.06 -0.59 0.03 -0.69 -0.55 0.00 0.00 176.35 174.50 2gsb s VAL 43 N -1.20 4.23 -0.04 1.48 1.01 -0.18 -1.17 120.40 124.54 2gsb s VAL 43 Ca -0.11 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2gsb s VAL 43 Cb -0.01 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2gsb s VAL 43 CO 0.09 0.15 0.28 -0.13 0.00 0.00 0.00 175.10 175.49 2gsb s ARG 44 N -2.27 0.55 0.24 2.72 0.52 -0.97 0.34 118.95 120.08 2gsb s ARG 44 Ca 0.26 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.12 2gsb s ARG 44 Cb -0.12 0.25 -0.09 0.00 0.52 0.00 0.00 34.95 35.51 2gsb s ARG 44 CO 0.19 -0.13 1.28 -1.25 0.02 0.00 0.00 175.30 175.40 2gsb s PRO 45 N -0.93 4.42 0.88 3.54 0.04 -1.25 -0.71 135.00 140.99 2gsb s PRO 45 Ca -0.10 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 2gsb s PRO 45 Cb -0.05 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.34 2gsb s PRO 45 CO 0.03 -0.17 0.46 0.45 0.04 0.00 0.00 177.00 177.81 2gsb n SER 46 N 2.06 -1.74 -4.55 6.66 2.88 -1.00 -4.73 113.62 113.19 2gsb n SER 46 Ca 0.04 0.41 -0.39 0.00 -1.33 0.00 0.00 58.87 57.60 2gsb n SER 46 Cb 0.43 -1.22 -0.04 0.00 -0.75 0.00 0.00 64.21 62.63 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 -1.07 2.38 -4.19 -3.46 2.03 -1.26 -2.84 116.55 108.14 2gsb n ASP 47 Ca 0.08 -0.24 -0.34 0.00 0.52 0.00 0.00 54.79 54.81 2gsb n ASP 47 Cb 0.52 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 39.36 2gsb n ASP 47 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2gsb n ASN 48 N 14.18 -0.68 -3.40 1.67 2.85 -1.26 -4.93 115.26 123.69 2gsb n ASN 48 Ca 0.38 -1.24 -0.14 0.00 -0.11 0.00 0.00 54.58 53.46 2gsb n ASN 48 Cb 0.47 -1.87 -0.10 0.00 1.24 0.00 0.00 39.78 39.52 2gsb n ASN 48 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2gsb s THR 49 N -4.09 -0.46 0.03 -0.44 2.01 -1.13 -5.13 115.64 106.43 2gsb s THR 49 Ca 0.14 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2gsb s THR 49 Cb -0.07 -0.87 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 2gsb s THR 49 CO 0.97 -0.29 1.43 -2.16 -0.69 0.00 0.00 174.62 173.88 2gsb s PRO 50 N 2.42 4.28 0.00 4.92 0.04 -1.26 -3.23 135.00 142.17 2gsb s PRO 50 Ca 0.10 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2gsb s PRO 50 Cb -0.15 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2gsb s PRO 50 CO -0.23 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2gsb n GLY 51 N 3.65 3.07 3.90 0.56 0.00 -1.26 -5.07 105.19 110.04 2gsb n GLY 51 Ca 0.13 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 5.92 0.12 1.61 1.11 -1.20 -4.23 116.67 120.00 2gsb s ASP 52 Ca 0.00 0.95 -0.17 0.00 0.18 0.00 0.00 52.55 53.51 2gsb s ASP 52 Cb 0.00 -2.05 0.04 0.00 1.07 0.00 0.00 42.92 41.98 2gsb s ASP 52 CO 0.00 -0.89 0.43 -0.31 1.18 0.00 0.00 175.17 175.58 2gsb s TYR 53 N -2.98 -0.26 -0.08 4.23 2.02 -0.83 -2.37 117.35 117.08 2gsb s TYR 53 Ca 0.52 -0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 57.20 2gsb s TYR 53 Cb -0.11 0.30 0.03 0.00 -0.40 0.00 0.00 41.96 41.78 2gsb s TYR 53 CO 0.47 -0.71 0.03 -1.12 -1.57 0.00 0.00 175.55 172.66 2gsb s SER 54 N -2.70 1.60 0.27 2.29 0.01 0.11 -0.92 113.70 114.37 2gsb s SER 54 Ca 0.02 -0.13 -0.09 0.00 1.31 0.00 0.00 55.95 57.06 2gsb s SER 54 Cb 0.01 -0.34 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 2gsb s SER 54 CO -0.11 -0.23 0.59 -0.22 0.41 0.00 0.00 173.24 173.67 2gsb s LEU 55 N 2.04 4.09 -0.08 2.44 0.20 -1.25 -2.28 118.68 123.83 2gsb s LEU 55 Ca 0.04 0.90 -0.01 0.00 0.69 0.00 0.00 54.13 55.76 2gsb s LEU 55 Cb -0.13 -3.70 0.03 0.00 -0.43 0.00 0.00 46.19 41.96 2gsb s LEU 55 CO -0.05 -0.16 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.52 2gsb s TYR 56 N -1.97 0.93 0.11 5.38 1.51 -0.32 -1.12 117.35 121.87 2gsb s TYR 56 Ca 0.47 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.26 2gsb s TYR 56 Cb -0.11 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 2gsb s TYR 56 CO 0.25 -0.39 -0.15 0.12 -1.11 0.00 0.00 175.55 174.27 2gsb s PHE 57 N 1.88 2.60 -0.09 2.71 5.36 0.07 -1.94 117.98 128.58 2gsb s PHE 57 Ca 0.05 -0.23 0.03 0.00 -0.96 0.00 0.00 56.93 55.82 2gsb s PHE 57 Cb -0.12 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.17 2gsb s PHE 57 CO -0.06 0.40 -0.19 0.50 -1.46 0.00 0.00 175.22 174.42 2gsb s ARG 58 N -2.18 2.89 0.14 10.12 3.52 -0.60 0.19 118.95 133.02 2gsb s ARG 58 Ca 0.19 -0.78 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 2gsb s ARG 58 Cb -0.11 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 2gsb s ARG 58 CO 0.11 0.35 -0.04 0.95 -0.81 0.00 0.00 175.30 175.87 2gsb s THR 59 N -0.05 0.76 0.59 4.11 -4.23 -1.23 -2.53 115.64 113.05 2gsb s THR 59 Ca -0.05 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 58.78 2gsb s THR 59 Cb -0.14 -1.91 0.40 0.00 1.34 0.00 0.00 72.50 72.18 2gsb s THR 59 CO 0.04 -0.67 1.78 0.78 -0.54 0.00 0.00 174.62 176.01 2gsb h ASN 60 N 2.81 0.00 0.00 3.99 2.35 -1.99 -2.76 115.58 119.98 2gsb h ASN 60 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2gsb h ASN 60 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2gsb h ASN 60 CO 0.64 0.00 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.33 2gsb h GLU 61 N 0.00 0.00 -2.23 0.81 4.81 -2.02 -3.50 114.58 112.45 2gsb h GLU 61 Ca 0.29 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 2gsb h GLU 61 Cb 1.59 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.81 2gsb h GLU 61 CO -0.00 0.00 0.45 0.54 -0.73 0.00 0.00 179.01 179.26 2gsb s ASN 62 N -3.20 -0.41 0.06 1.04 4.22 -1.04 -5.14 114.94 110.46 2gsb s ASN 62 Ca -0.00 0.12 -0.31 0.00 -2.14 0.00 0.00 52.86 50.53 2gsb s ASN 62 Cb 0.00 0.41 -0.07 0.00 1.28 0.00 0.00 41.25 42.87 2gsb s ASN 62 CO 0.00 -0.61 1.41 -0.63 -2.04 0.00 0.00 177.10 175.22 2gsb s ILE 63 N -2.72 3.49 0.25 0.54 1.01 -1.26 -3.56 121.20 118.95 2gsb s ILE 63 Ca 0.02 0.99 0.08 0.00 0.00 0.00 0.00 60.65 61.74 2gsb s ILE 63 Cb -0.01 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2gsb s ILE 63 CO -0.06 0.04 0.11 0.00 0.00 0.00 0.00 174.94 175.03 2gsb s GLN 64 N 1.79 2.67 0.03 2.79 -2.07 0.13 -4.94 119.66 120.05 2gsb s GLN 64 Ca 0.65 -1.18 0.05 0.00 -1.82 0.00 0.00 55.36 53.05 2gsb s GLN 64 Cb -0.34 -2.41 -0.02 0.00 -1.09 0.00 0.00 33.01 29.15 2gsb s GLN 64 CO 0.29 0.39 -0.13 0.50 -1.32 0.00 0.00 175.29 175.02 2gsb s ARG 65 N -3.71 0.93 0.28 9.60 3.52 -1.26 -0.75 118.95 127.57 2gsb s ARG 65 Ca 0.32 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 2gsb s ARG 65 Cb -0.07 -0.93 0.01 0.00 -1.56 0.00 0.00 34.95 32.39 2gsb s ARG 65 CO 0.23 0.23 0.06 1.19 -0.81 0.00 0.00 175.30 176.20 2gsb n PHE 66 N 2.07 0.22 -3.90 5.12 3.72 -0.28 -4.98 117.46 119.42 2gsb n PHE 66 Ca -0.17 -1.33 -0.16 0.00 -0.05 0.00 0.00 57.45 55.74 2gsb n PHE 66 Cb 0.55 -0.20 -0.16 0.00 -0.94 0.00 0.00 39.48 38.73 2gsb n PHE 66 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2gsb s LYS 67 N -3.05 0.23 -0.29 -1.08 1.02 -1.26 -3.76 119.74 111.55 2gsb s LYS 67 Ca 0.04 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.15 2gsb s LYS 67 Cb -0.00 -0.41 0.07 0.00 -0.52 0.00 0.00 37.83 36.97 2gsb s LYS 67 CO 0.03 -0.13 -0.05 0.42 -0.92 0.00 0.00 175.35 174.70 2gsb s ILE 68 N 0.94 2.24 -0.01 2.17 1.01 -0.09 -4.36 121.20 123.10 2gsb s ILE 68 Ca -0.09 -1.88 -0.14 0.00 0.00 0.00 0.00 60.65 58.53 2gsb s ILE 68 Cb -0.13 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 2gsb s ILE 68 CO -0.02 -0.24 0.39 0.00 0.00 0.00 0.00 174.94 175.07 2gsb s PRO 70 N -1.04 2.26 0.04 0.00 0.04 -1.26 -0.93 135.00 134.11 2gsb s PRO 70 Ca 0.23 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.46 2gsb s PRO 70 Cb -0.16 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2gsb s PRO 70 CO 0.13 -1.64 -0.07 0.95 0.04 0.00 0.00 177.00 176.40 2gsb s THR 71 N -2.90 0.48 0.00 1.26 -4.23 -1.09 -4.78 115.64 104.39 2gsb s THR 71 Ca 0.61 -1.02 0.32 0.00 -1.18 0.00 0.00 61.69 60.42 2gsb s THR 71 Cb -0.17 -0.55 0.37 0.00 1.34 0.00 0.00 72.50 73.48 2gsb s THR 71 CO 0.56 -0.37 1.94 1.55 -0.54 0.00 0.00 174.62 177.76 2gsb h PRO 72 N 4.59 0.00 -1.87 3.99 0.13 -1.98 -3.23 132.00 133.63 2gsb h PRO 72 Ca -0.35 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.41 2gsb h PRO 72 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 2gsb h PRO 72 CO 0.41 0.00 0.23 -1.71 -0.23 0.00 0.00 178.00 176.70 2gsb n ASN 73 N -2.91 6.18 -3.88 1.44 5.15 -1.26 -4.81 115.26 115.16 2gsb n ASN 73 Ca 0.01 -2.99 -0.28 0.00 -0.60 0.00 0.00 54.58 50.72 2gsb n ASN 73 Cb 0.28 -1.21 -0.03 0.00 -0.53 0.00 0.00 39.78 38.29 2gsb n ASN 73 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2gsb n ASN 74 N 1.06 -1.02 -2.02 1.20 4.13 -1.22 -4.87 115.26 112.53 2gsb n ASN 74 Ca 0.40 -0.92 -0.07 0.00 1.68 0.00 0.00 54.58 55.67 2gsb n ASN 74 Cb 0.62 -1.12 -0.01 0.00 -1.54 0.00 0.00 39.78 37.73 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 -3.70 0.40 -4.29 3.52 6.02 -1.25 -4.83 117.38 113.25 2gsb n GLN 75 Ca -0.16 -1.40 -0.18 0.00 -0.01 0.00 0.00 57.00 55.25 2gsb n GLN 75 Cb 0.45 1.41 -0.13 0.00 1.02 0.00 0.00 30.24 32.98 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 -4.19 0.93 -0.25 1.08 0.08 -1.00 -2.66 117.98 111.97 2gsb s PHE 76 Ca 0.14 -0.29 -0.07 0.00 0.12 0.00 0.00 56.93 56.83 2gsb s PHE 76 Cb -0.01 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.85 2gsb s PHE 76 CO 0.10 -0.01 0.06 -1.64 -0.10 0.00 0.00 175.22 173.64 2gsb s MET 77 N -0.83 3.60 -0.22 0.44 -1.94 -0.10 -2.02 119.30 118.23 2gsb s MET 77 Ca 0.00 -0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 53.44 2gsb s MET 77 Cb -0.06 -3.31 0.07 0.00 2.01 0.00 0.00 34.83 33.54 2gsb s MET 77 CO 0.00 -0.21 0.08 1.41 -0.01 0.00 0.00 175.02 176.30 2gsb s MET 78 N 1.60 0.38 -0.17 2.03 1.75 -1.19 -1.84 119.30 121.86 2gsb s MET 78 Ca 0.06 -0.40 -0.01 0.00 -1.25 0.00 0.00 55.69 54.09 2gsb s MET 78 Cb -0.15 -1.83 0.00 0.00 2.84 0.00 0.00 34.83 35.69 2gsb s MET 78 CO 0.03 -0.76 0.15 0.41 -0.65 0.00 0.00 175.02 174.20 2gsb n GLY 79 N 5.14 0.65 3.29 2.11 0.00 -1.26 -3.75 105.19 111.38 2gsb n GLY 79 Ca -0.07 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.78 -0.48 3.30 -0.02 0.00 -1.26 -4.99 105.19 100.96 2gsb n GLY 80 Ca -0.01 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.02 1.80 0.04 1.61 0.52 -1.25 -5.17 118.95 110.47 2gsb s ARG 81 Ca 0.45 -2.03 0.06 0.00 -0.52 0.00 0.00 55.73 53.69 2gsb s ARG 81 Cb -0.20 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.58 2gsb s ARG 81 CO 0.56 -0.67 -0.16 0.71 0.02 0.00 0.00 175.30 175.76 2gsb s TYR 82 N -3.38 1.42 -0.00 -0.53 2.02 -1.26 -3.15 117.35 112.46 2gsb s TYR 82 Ca 0.40 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.72 2gsb s TYR 82 Cb 0.02 -0.85 -0.00 0.00 -0.40 0.00 0.00 41.96 40.73 2gsb s TYR 82 CO 0.28 0.05 0.07 0.71 -1.57 0.00 0.00 175.55 175.09 2gsb s TYR 83 N -0.78 0.06 0.24 2.71 1.51 -0.86 -5.00 117.35 115.23 2gsb s TYR 83 Ca 0.04 -0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 55.92 2gsb s TYR 83 Cb -0.08 -0.06 0.34 0.00 -0.11 0.00 0.00 41.96 42.05 2gsb s TYR 83 CO 0.01 -0.17 1.83 -0.91 -1.11 0.00 0.00 175.55 175.20 2gsb h ASN 84 N 5.00 0.73 -4.16 2.29 2.35 -1.89 -2.66 115.58 117.23 2gsb h ASN 84 Ca -0.29 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.61 2gsb h ASN 84 Cb 1.20 -0.12 -0.21 0.00 0.05 0.00 0.00 38.32 39.24 2gsb h ASN 84 CO 0.42 0.45 0.59 -0.94 -1.65 0.00 0.00 177.43 176.30 2gsb s SER 85 N -5.68 -0.32 0.28 5.81 1.04 -1.26 -4.52 113.70 109.04 2gsb s SER 85 Ca -0.13 0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.51 2gsb s SER 85 Cb 0.18 0.28 0.52 0.00 0.10 0.00 0.00 66.02 67.11 2gsb s SER 85 CO 0.78 -0.36 1.58 0.40 0.98 0.00 0.00 173.24 176.61 2gsb h ILE 86 N 2.36 0.07 -0.92 -1.02 2.04 -1.96 0.58 117.51 118.67 2gsb h ILE 86 Ca -0.17 -0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.87 2gsb h ILE 86 Cb 1.18 0.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.21 2gsb h ILE 86 CO 0.30 0.00 0.49 1.23 0.00 0.00 0.00 178.15 180.16 2gsb h GLY 87 N 0.01 1.59 0.98 5.37 0.00 -2.00 -0.39 103.07 108.63 2gsb h GLY 87 Ca 0.49 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 2gsb h GLY 87 CO -0.93 -0.13 0.14 -0.55 0.00 0.00 0.00 176.54 175.07 2gsb h ASP 88 N 0.59 0.76 -1.04 0.19 5.19 -0.24 -2.79 116.42 119.09 2gsb h ASP 88 Ca 0.54 -0.22 0.28 0.00 -0.62 0.00 0.00 57.03 57.01 2gsb h ASP 88 Cb 0.89 -0.20 -0.12 0.00 0.18 0.00 0.00 39.33 40.08 2gsb h ASP 88 CO -0.43 0.78 0.63 0.40 -3.12 0.00 0.00 179.24 177.51 2gsb h ILE 89 N 0.70 0.45 0.45 0.35 2.04 -0.66 0.06 117.51 120.90 2gsb h ILE 89 Ca 0.16 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2gsb h ILE 89 Cb 0.31 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2gsb h ILE 89 CO -0.00 0.08 -0.22 0.40 0.00 0.00 0.00 178.15 178.41 2gsb h ILE 90 N 0.43 0.00 -1.06 -0.67 5.03 -1.38 -0.59 117.51 119.27 2gsb h ILE 90 Ca 0.67 -0.13 0.28 0.00 -0.12 0.00 0.00 64.86 65.55 2gsb h ILE 90 Cb 1.51 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 35.21 2gsb h ILE 90 CO -0.45 0.00 0.69 -0.78 -0.68 0.00 0.00 178.15 176.93 2gsb h ASP 91 N -0.73 0.40 0.07 1.72 1.82 -1.38 0.26 116.42 118.57 2gsb h ASP 91 Ca -0.06 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2gsb h ASP 91 Cb 0.46 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.49 2gsb h ASP 91 CO 0.10 0.06 -0.03 -0.74 -1.61 0.00 0.00 179.24 177.02 2gsb h HIS 92 N 0.35 -0.08 -0.28 0.28 2.76 -0.93 -3.14 115.15 114.11 2gsb h HIS 92 Ca 0.60 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.73 2gsb h HIS 92 Cb 1.61 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.58 2gsb h HIS 92 CO -0.00 0.31 0.01 1.88 -1.30 0.00 0.00 177.93 178.82 2gsb h TYR 93 N -0.49 0.42 -0.64 5.26 0.05 0.61 -1.32 116.97 120.87 2gsb h TYR 93 Ca -0.01 -0.03 0.18 0.00 0.05 0.00 0.00 58.73 58.92 2gsb h TYR 93 Cb 0.43 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 2gsb h TYR 93 CO 0.06 0.43 0.62 0.00 -1.05 0.00 0.00 178.16 178.21 2gsb h ARG 94 N 0.41 0.00 0.00 4.88 3.08 -0.53 0.14 114.38 122.36 2gsb h ARG 94 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2gsb h ARG 94 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2gsb h ARG 94 CO 0.01 0.00 -1.05 0.36 -1.07 0.00 0.00 179.97 178.22 2gsb n LYS 95 N -3.77 1.73 -4.06 0.04 2.85 -0.84 -4.78 118.16 109.33 2gsb n LYS 95 Ca 0.13 -0.05 -0.34 0.00 -1.05 0.00 0.00 58.31 57.00 2gsb n LYS 95 Cb 0.85 -1.12 -0.15 0.00 -0.65 0.00 0.00 35.03 33.95 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 -2.38 3.12 -0.20 -1.58 0.41 0.50 -5.07 118.70 113.51 2gsb s GLU 96 Ca -0.01 -0.76 -0.33 0.00 -0.41 0.00 0.00 54.97 53.47 2gsb s GLU 96 Cb 0.07 -2.72 -0.10 0.00 -1.78 0.00 0.00 34.13 29.61 2gsb s GLU 96 CO 0.41 -0.20 2.07 1.04 -0.49 0.00 0.00 175.26 178.09 2gsb n GLN 97 N 4.66 1.80 0.22 1.61 6.02 -1.26 -4.39 117.38 126.05 2gsb n GLN 97 Ca -0.20 0.58 0.09 0.00 -0.01 0.00 0.00 57.00 57.46 2gsb n GLN 97 Cb 0.50 -2.76 0.49 0.00 1.02 0.00 0.00 30.24 29.49 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 6.42 0.64 -4.80 5.09 2.10 -1.78 -3.45 117.51 121.74 2gsb h ILE 98 Ca -0.40 -1.07 -0.31 0.00 1.08 0.00 0.00 64.86 64.16 2gsb h ILE 98 Cb 1.28 1.70 -0.04 0.00 -1.09 0.00 0.00 36.82 38.67 2gsb h ILE 98 CO 0.97 0.23 -0.18 0.52 -1.08 0.00 0.00 178.15 178.62 2gsb n VAL 99 N -3.50 0.00 1.30 2.19 0.31 -1.20 -4.99 118.33 112.44 2gsb n VAL 99 Ca -0.00 -1.15 0.07 0.00 -0.01 0.00 0.00 64.34 63.25 2gsb n VAL 99 Cb 0.40 -0.08 0.44 0.00 -0.91 0.00 0.00 33.84 33.70 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 -0.97 0.65 0.00 5.55 0.28 -1.26 -4.16 120.64 120.72 2gsb n GLU 100 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2gsb n GLU 100 Cb 0.32 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 0.25 0.00 3.41 -1.84 0.00 -1.26 -5.16 105.19 100.60 2gsb n GLY 101 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.77 0.47 1.61 1.51 -1.26 -5.12 117.35 113.80 2gsb s TYR 102 Ca 0.00 1.60 0.08 0.00 -1.01 0.00 0.00 57.07 57.74 2gsb s TYR 102 Cb 0.00 0.39 0.03 0.00 -0.11 0.00 0.00 41.96 42.27 2gsb s TYR 102 CO 0.00 -0.40 0.58 0.71 -1.11 0.00 0.00 175.55 175.32 2gsb s TYR 103 N 1.39 2.31 -0.92 2.71 2.02 -1.26 -2.88 117.35 120.72 2gsb s TYR 103 Ca -0.09 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.92 2gsb s TYR 103 Cb -0.07 -2.25 0.20 0.00 -0.40 0.00 0.00 41.96 39.44 2gsb s TYR 103 CO -0.14 -0.56 0.95 -0.51 -1.57 0.00 0.00 175.55 173.71 2gsb s LEU 104 N -4.39 6.19 0.03 -1.29 1.43 -1.26 -4.78 118.68 114.61 2gsb s LEU 104 Ca 0.54 -2.70 -0.16 0.00 -1.03 0.00 0.00 54.13 50.78 2gsb s LEU 104 Cb -0.07 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 2gsb s LEU 104 CO 0.33 -0.66 1.25 0.11 0.23 0.00 0.00 176.35 177.61 2gsb h LYS 105 N 7.82 -0.53 -2.01 1.70 1.79 -1.91 -3.46 116.57 119.97 2gsb h LYS 105 Ca 0.14 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 2gsb h LYS 105 Cb 1.00 0.12 -0.21 0.00 -1.58 0.00 0.00 32.23 31.56 2gsb h LYS 105 CO 0.91 -0.36 0.13 -1.83 -1.08 0.00 0.00 179.45 177.22 2gsb s GLU 106 N -4.28 0.85 1.21 3.15 -1.05 -1.21 -5.10 118.70 112.28 2gsb s GLU 106 Ca -0.08 0.96 -0.20 0.00 -0.15 0.00 0.00 54.97 55.50 2gsb s GLU 106 Cb 0.01 0.41 0.29 0.00 -0.44 0.00 0.00 34.13 34.41 2gsb s GLU 106 CO 0.26 -0.11 1.11 -1.25 0.95 0.00 0.00 175.26 176.22 2gsb s PRO 107 N 0.31 -1.32 -0.11 -4.83 0.04 -1.26 -3.96 135.00 123.87 2gsb s PRO 107 Ca -0.01 -0.10 -0.20 0.00 0.04 0.00 0.00 61.00 60.74 2gsb s PRO 107 Cb -0.05 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 2gsb s PRO 107 CO 0.01 -3.77 0.55 0.08 0.04 0.00 0.00 177.00 173.91 2gsb s VAL 108 N -3.00 5.14 1.16 -0.36 1.01 -0.89 -4.81 120.40 118.65 2gsb s VAL 108 Ca 0.71 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 2gsb s VAL 108 Cb -0.09 -3.89 0.27 0.00 0.00 0.00 0.00 36.38 32.67 2gsb s VAL 108 CO 0.56 0.29 1.11 -2.16 0.00 0.00 0.00 175.10 174.90 2gsb s PRO 109 N 0.74 -0.89 0.55 2.72 0.04 -1.26 -4.23 135.00 132.68 2gsb s PRO 109 Ca 0.29 0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.38 2gsb s PRO 109 Cb -0.16 -1.62 0.11 0.00 0.04 0.00 0.00 34.50 32.87 2gsb s PRO 109 CO 0.12 -3.51 0.75 -1.33 0.04 0.00 0.00 177.00 173.07 2gsb n MET 110 N -4.64 0.02 -3.72 4.56 2.81 -1.26 -5.01 117.12 109.89 2gsb n MET 110 Ca 0.11 -1.97 -0.28 0.00 -1.81 0.00 0.00 57.70 53.76 2gsb n MET 110 Cb 0.59 -0.52 -0.11 0.00 -0.71 0.00 0.00 33.22 32.47 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 -2.40 1.43 -1.06 0.03 1.13 -1.26 -5.07 117.38 110.19 2gsb n GLN 111 Ca 0.12 -4.13 -0.50 0.00 -1.94 0.00 0.00 57.00 50.55 2gsb n GLN 111 Cb 0.43 -2.10 -0.10 0.00 0.11 0.00 0.00 30.24 28.58 2gsb n GLN 111 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2gsb n ASP 112 N 2.09 0.62 -4.69 1.08 -0.08 -1.26 -4.78 116.55 109.53 2gsb n ASP 112 Ca 0.23 0.56 -0.42 0.00 -1.51 0.00 0.00 54.79 53.65 2gsb n ASP 112 Cb 0.39 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2gsb n ASP 112 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2gsb n GLN 113 N 6.32 1.94 -3.10 -0.67 -0.06 -1.26 -5.01 117.38 115.54 2gsb n GLN 113 Ca 0.46 0.69 -0.19 0.00 -2.00 0.00 0.00 57.00 55.96 2gsb n GLN 113 Cb -0.03 -2.31 0.02 0.00 -4.06 0.00 0.00 30.24 23.86 2gsb n GLN 113 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2gsb n SER 114 N 0.51 2.17 0.00 1.69 2.88 -1.26 -5.13 113.62 114.47 2gsb n SER 114 Ca 0.06 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 2gsb n SER 114 Cb 0.38 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2gsb n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gsb n GLY 115 N -0.35 3.00 0.09 0.46 0.00 -1.26 -5.00 105.19 102.13 2gsb n GLY 115 Ca 0.03 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 2gsb n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsb h PRO 116 N 0.00 0.17 -6.41 1.61 0.13 -2.08 -3.47 132.00 121.96 2gsb h PRO 116 Ca 0.00 -0.09 -0.49 0.00 -0.87 0.00 0.00 66.00 64.55 2gsb h PRO 116 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.07 2gsb h PRO 116 CO 0.00 0.61 -0.81 0.45 -0.23 0.00 0.00 178.00 178.02 2gsb n SER 117 N -4.71 -3.22 -3.73 1.44 2.88 -1.26 -4.96 113.62 100.05 2gsb n SER 117 Ca -0.07 -0.87 -0.12 0.00 -1.33 0.00 0.00 58.87 56.47 2gsb n SER 117 Cb 0.30 -3.52 -0.11 0.00 -0.75 0.00 0.00 64.21 60.13 2gsb n SER 117 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2gsb s SER 118 N -3.63 -0.38 0.00 -3.46 0.15 -1.26 -5.33 113.70 99.80 2gsb s SER 118 Ca 0.48 0.70 0.05 0.00 0.70 0.00 0.00 55.95 57.88 2gsb s SER 118 Cb -0.25 0.64 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 2gsb s SER 118 CO 0.86 -0.15 0.64 0.61 1.20 0.00 0.00 173.24 176.40