#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 -0.10 0.21 1.61 0.01 -1.26 -5.18 113.70 109.00 2gsb s SER 2 Ca 0.00 -0.67 0.09 0.00 1.31 0.00 0.00 55.95 56.68 2gsb s SER 2 Cb 0.00 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2gsb s SER 2 CO 0.00 -0.96 -0.06 -0.44 0.41 0.00 0.00 173.24 172.19 2gsb s SER 3 N -2.92 4.39 0.00 2.44 0.01 -1.26 -5.04 113.70 111.32 2gsb s SER 3 Ca 0.13 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2gsb s SER 3 Cb 0.01 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2gsb s SER 3 CO -0.02 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2gsb n GLY 4 N -0.33 0.29 2.76 3.44 0.00 -1.26 -4.92 105.19 105.18 2gsb n GLY 4 Ca -0.09 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 2gsb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gsb s SER 5 N -4.00 3.81 -0.32 1.61 0.15 -1.26 -5.06 113.70 108.63 2gsb s SER 5 Ca 0.00 -3.32 -0.04 0.00 0.70 0.00 0.00 55.95 53.29 2gsb s SER 5 Cb 0.00 -1.26 0.04 0.00 -1.71 0.00 0.00 66.02 63.09 2gsb s SER 5 CO 0.00 -0.16 0.06 -0.44 1.20 0.00 0.00 173.24 173.90 2gsb s SER 6 N -0.60 5.13 -0.71 5.45 0.01 -1.26 -5.06 113.70 116.66 2gsb s SER 6 Ca 0.24 -1.17 -0.20 0.00 1.31 0.00 0.00 55.95 56.12 2gsb s SER 6 Cb -0.10 -1.80 0.10 0.00 0.21 0.00 0.00 66.02 64.43 2gsb s SER 6 CO -0.11 -0.29 0.91 -0.83 0.41 0.00 0.00 173.24 173.32 2gsb s GLY 7 N 1.34 1.69 -0.41 3.44 0.00 -1.26 -4.99 107.32 107.14 2gsb s GLY 7 Ca -0.03 -2.25 -0.40 0.00 0.00 0.00 0.00 44.72 42.04 2gsb s GLY 7 CO 0.01 1.86 1.35 -2.13 0.00 0.00 0.00 173.10 174.19 2gsb n ARG 8 N 6.82 0.00 -2.93 2.90 0.63 -1.26 -4.90 116.66 117.93 2gsb n ARG 8 Ca 0.02 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.67 2gsb n ARG 8 Cb 0.45 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 32.06 2gsb n ARG 8 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2gsb s GLU 9 N 2.45 3.60 -0.11 -0.14 2.02 -1.26 -5.04 118.70 120.23 2gsb s GLU 9 Ca 0.89 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 55.74 2gsb s GLU 9 Cb -1.27 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 2gsb s GLU 9 CO 0.69 -0.04 1.11 -1.21 0.02 0.00 0.00 175.26 175.84 2gsb s GLU 10 N -4.25 4.36 0.05 1.61 8.01 -1.26 -5.04 118.70 122.18 2gsb s GLU 10 Ca 0.47 1.52 0.04 0.00 0.01 0.00 0.00 54.97 57.00 2gsb s GLU 10 Cb -0.10 -3.58 -0.04 0.00 -4.31 0.00 0.00 34.13 26.10 2gsb s GLU 10 CO 0.38 -0.44 -0.02 -0.51 0.01 0.00 0.00 175.26 174.68 2gsb s ASP 11 N 1.34 4.95 0.10 -0.19 1.01 -1.26 -5.04 116.67 117.58 2gsb s ASP 11 Ca 0.51 -0.14 -0.15 0.00 0.71 0.00 0.00 52.55 53.49 2gsb s ASP 11 Cb -0.21 -1.20 -0.08 0.00 1.01 0.00 0.00 42.92 42.45 2gsb s ASP 11 CO 0.18 0.22 1.42 1.55 0.21 0.00 0.00 175.17 178.75 2gsb h PRO 12 N 3.88 0.71 -0.77 8.23 0.13 -2.04 -3.20 132.00 138.94 2gsb h PRO 12 Ca -0.48 -0.37 0.15 0.00 -0.87 0.00 0.00 66.00 64.43 2gsb h PRO 12 Cb 1.17 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 2gsb h PRO 12 CO 0.58 0.99 0.30 0.45 -0.23 0.00 0.00 178.00 180.09 2gsb h HIS 13 N 0.46 0.51 -3.58 1.56 3.86 -2.03 -3.42 115.15 112.51 2gsb h HIS 13 Ca 0.05 0.04 -0.50 0.00 -1.16 0.00 0.00 60.37 58.80 2gsb h HIS 13 Cb 0.85 -0.11 0.02 0.00 1.06 0.00 0.00 27.41 29.23 2gsb h HIS 13 CO 0.07 0.04 0.08 -1.83 0.86 0.00 0.00 177.93 177.15 2gsb s GLU 14 N -6.01 3.65 0.00 2.45 4.04 -1.21 -4.22 118.70 117.41 2gsb s GLU 14 Ca -0.12 0.29 0.00 0.00 0.04 0.00 0.00 54.97 55.18 2gsb s GLU 14 Cb 0.21 -2.41 0.00 0.00 0.02 0.00 0.00 34.13 31.95 2gsb s GLU 14 CO 0.76 -0.08 0.00 0.41 -1.84 0.00 0.00 175.26 174.51 2gsb n GLY 15 N -1.70 3.23 3.44 -3.83 0.00 -1.26 -4.78 105.19 100.29 2gsb n GLY 15 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2gsb n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gsb n LYS 16 N -1.47 -2.29 0.04 1.61 4.76 -1.26 -4.94 118.16 114.61 2gsb n LYS 16 Ca 0.00 -0.64 -0.05 0.00 -2.87 0.00 0.00 58.31 54.75 2gsb n LYS 16 Cb 0.00 -2.09 -0.10 0.00 -1.84 0.00 0.00 35.03 31.00 2gsb n LYS 16 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 2gsb h ILE 17 N -2.57 1.17 0.00 -0.18 2.10 -1.96 -3.29 117.51 112.78 2gsb h ILE 17 Ca -0.60 -2.85 0.00 0.00 1.08 0.00 0.00 64.86 62.49 2gsb h ILE 17 Cb 1.34 2.55 0.00 0.00 -1.09 0.00 0.00 36.82 39.62 2gsb h ILE 17 CO 0.47 0.67 -0.67 4.11 -1.08 0.00 0.00 178.15 181.64 2gsb h TRP 18 N 0.00 0.00 -3.58 2.19 5.08 -1.93 -3.38 115.95 114.33 2gsb h TRP 18 Ca -0.11 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.34 2gsb h TRP 18 Cb 1.76 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.89 2gsb h TRP 18 CO 0.00 0.00 0.05 0.12 -1.28 0.00 0.00 178.44 177.33 2gsb s PHE 19 N -3.18 3.49 -0.04 0.12 5.36 -1.24 -0.69 117.98 121.80 2gsb s PHE 19 Ca 0.06 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 2gsb s PHE 19 Cb 0.13 -2.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 2gsb s PHE 19 CO 0.73 0.24 -0.01 -1.01 -1.46 0.00 0.00 175.22 173.71 2gsb s HIS 20 N -1.75 0.46 0.00 10.12 3.76 -0.68 -4.75 115.29 122.45 2gsb s HIS 20 Ca 0.48 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 2gsb s HIS 20 Cb -0.13 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.02 2gsb s HIS 20 CO 0.19 -0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 2gsb n GLY 21 N 4.36 0.00 0.15 -2.22 0.00 -1.26 -3.89 105.19 102.32 2gsb n GLY 21 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.25 0.00 1.61 1.79 -2.01 -3.46 116.57 114.24 2gsb h LYS 22 Ca 0.00 0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.33 2gsb h LYS 22 Cb 0.35 0.06 0.09 0.00 -1.58 0.00 0.00 32.23 31.15 2gsb h LYS 22 CO 0.00 -0.03 -0.07 0.44 -1.08 0.00 0.00 179.45 178.71 2gsb n ILE 23 N -4.94 0.00 -4.66 1.86 -5.35 -1.26 -5.06 119.36 99.95 2gsb n ILE 23 Ca -0.05 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.13 2gsb n ILE 23 Cb 0.17 -0.41 -0.07 0.00 -1.74 0.00 0.00 39.64 37.59 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 -3.10 2.61 0.12 7.28 7.64 -1.26 -5.04 113.62 121.86 2gsb n SER 24 Ca 0.06 -3.18 -0.13 0.00 1.01 0.00 0.00 58.87 56.62 2gsb n SER 24 Cb 0.25 0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 63.98 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 -0.27 0.29 1.43 3.64 -1.97 -2.72 116.57 116.97 2gsb h LYS 25 Ca -0.38 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2gsb h LYS 25 Cb 1.24 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 2gsb h LYS 25 CO 0.62 -0.18 -0.48 0.37 -2.27 0.00 0.00 179.45 177.51 2gsb h GLN 26 N -0.28 -0.80 -0.97 1.90 -0.00 -2.02 -2.56 115.11 110.38 2gsb h GLN 26 Ca -0.00 0.05 0.17 0.00 -0.00 0.00 0.00 58.65 58.87 2gsb h GLN 26 Cb 0.26 0.18 -0.17 0.00 0.00 0.00 0.00 27.48 27.75 2gsb h GLN 26 CO -0.02 -0.53 -0.33 0.93 0.00 0.00 0.00 178.83 178.88 2gsb h GLU 27 N -0.83 -0.01 -0.98 1.69 3.07 -1.95 0.31 114.58 115.89 2gsb h GLU 27 Ca -0.02 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.05 2gsb h GLU 27 Cb 0.78 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.51 2gsb h GLU 27 CO -0.17 -0.00 -0.20 0.00 -1.40 0.00 0.00 179.01 177.23 2gsb h ALA 28 N 1.61 0.73 0.40 3.43 0.00 -1.13 0.16 119.26 124.46 2gsb h ALA 28 Ca 0.39 0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.67 2gsb h ALA 28 Cb 0.64 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2gsb h ALA 28 CO -0.98 -0.41 -0.49 1.88 0.00 0.00 0.00 179.25 179.24 2gsb h TYR 29 N 0.00 -1.38 -0.79 0.00 0.05 -0.38 -0.41 116.97 114.08 2gsb h TYR 29 Ca 0.49 0.02 0.12 0.00 0.05 0.00 0.00 58.73 59.40 2gsb h TYR 29 Cb 0.80 0.55 -0.08 0.00 1.01 0.00 0.00 36.73 39.00 2gsb h TYR 29 CO -0.71 -0.64 0.40 -0.97 -1.05 0.00 0.00 178.16 175.19 2gsb h ASN 30 N -0.92 0.51 0.51 3.88 -1.24 -0.90 -0.99 115.58 116.44 2gsb h ASN 30 Ca -0.04 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 2gsb h ASN 30 Cb 0.83 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.86 2gsb h ASN 30 CO -0.12 0.26 -0.39 -0.07 -1.29 0.00 0.00 177.43 175.83 2gsb h LEU 31 N 0.63 -1.02 -0.74 0.34 3.38 -0.27 0.21 115.31 117.84 2gsb h LEU 31 Ca 0.41 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2gsb h LEU 31 Cb 0.49 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2gsb h LEU 31 CO -0.31 -0.55 0.04 0.18 0.09 0.00 0.00 178.44 177.88 2gsb n LEU 32 N -4.80 0.29 0.04 1.67 4.77 -0.21 0.03 117.00 118.79 2gsb n LEU 32 Ca -0.10 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 2gsb n LEU 32 Cb 0.38 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 2gsb n LEU 32 CO 0.24 -0.71 -0.31 0.23 -1.33 0.00 0.00 177.39 175.50 2gsb n MET 33 N -1.89 0.53 0.00 3.23 2.81 -0.40 -3.93 117.12 117.47 2gsb n MET 33 Ca -0.01 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2gsb n MET 33 Cb 0.05 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 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 -2.30 0.00 -0.02 2.03 -2.24 0.10 -4.83 114.28 107.02 2gsb n THR 34 Ca -0.01 0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 2gsb n THR 34 Cb 0.52 -0.80 0.28 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.20 -3.21 2.28 -1.51 -0.81 -3.44 116.25 110.76 2gsb h VAL 35 Ca 0.00 -0.80 -0.46 0.00 -1.23 0.00 0.00 66.70 64.22 2gsb h VAL 35 Cb 0.00 0.91 0.05 0.00 -2.13 0.00 0.00 31.29 30.12 2gsb h VAL 35 CO 0.00 0.28 0.09 -0.83 -1.23 0.00 0.00 177.57 175.87 2gsb s GLY 36 N -3.82 1.68 0.32 5.19 0.00 0.53 -4.89 107.32 106.33 2gsb s GLY 36 Ca -0.08 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.68 2gsb s GLY 36 CO 0.77 -0.70 0.13 -0.18 0.00 0.00 0.00 173.10 173.12 2gsb n GLN 37 N -2.53 0.62 0.00 2.90 7.27 -1.25 -4.41 117.38 119.98 2gsb n GLN 37 Ca 0.06 -2.75 0.01 0.00 0.07 0.00 0.00 57.00 54.39 2gsb n GLN 37 Cb 0.59 1.57 0.05 0.00 2.41 0.00 0.00 30.24 34.86 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 -0.71 1.56 -2.04 1.69 0.31 -1.26 -1.32 118.33 116.54 2gsb n VAL 38 Ca -0.04 0.39 -0.06 0.00 -0.01 0.00 0.00 64.34 64.62 2gsb n VAL 38 Cb 0.49 -1.35 0.09 0.00 -0.91 0.00 0.00 33.84 32.16 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 -3.30 2.37 0.32 0.00 1.04 -0.44 -2.45 113.70 111.24 2gsb s SER 40 Ca 0.41 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 56.30 2gsb s SER 40 Cb 0.38 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2gsb s SER 40 CO -0.04 0.09 0.19 0.72 0.98 0.00 0.00 173.24 175.19 2gsb s PHE 41 N -0.98 1.65 -0.26 5.02 -0.12 -1.25 -2.87 117.98 119.17 2gsb s PHE 41 Ca 0.06 -1.45 -0.27 0.00 -0.05 0.00 0.00 56.93 55.21 2gsb s PHE 41 Cb -0.09 -0.84 0.16 0.00 -0.63 0.00 0.00 43.02 41.62 2gsb s PHE 41 CO 0.03 -0.61 1.21 -0.48 -0.05 0.00 0.00 175.22 175.32 2gsb s LEU 42 N -3.40 -0.23 0.25 -1.99 0.05 -0.77 -2.33 118.68 110.26 2gsb s LEU 42 Ca 0.35 0.36 0.06 0.00 0.05 0.00 0.00 54.13 54.96 2gsb s LEU 42 Cb 0.04 1.48 -0.03 0.00 -2.05 0.00 0.00 46.19 45.63 2gsb s LEU 42 CO 0.20 -0.13 0.25 -0.69 -0.55 0.00 0.00 176.35 175.43 2gsb s VAL 43 N -0.41 4.63 -0.23 1.48 1.01 0.13 -0.88 120.40 126.13 2gsb s VAL 43 Ca 0.04 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.48 2gsb s VAL 43 Cb -0.03 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 32.93 2gsb s VAL 43 CO -0.07 -0.33 0.90 0.00 0.00 0.00 0.00 175.10 175.59 2gsb s ARG 44 N -3.89 0.68 -0.22 2.72 1.70 -1.11 -1.68 118.95 117.14 2gsb s ARG 44 Ca 0.34 0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 55.89 2gsb s ARG 44 Cb -0.08 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 2gsb s ARG 44 CO 0.26 -0.13 1.61 -1.25 -1.08 0.00 0.00 175.30 174.71 2gsb s PRO 45 N -0.15 3.80 -0.76 3.89 0.04 -1.25 -1.65 135.00 138.93 2gsb s PRO 45 Ca -0.00 1.66 -0.33 0.00 0.04 0.00 0.00 61.00 62.37 2gsb s PRO 45 Cb -0.04 -4.03 -0.18 0.00 0.04 0.00 0.00 34.50 30.30 2gsb s PRO 45 CO -0.01 -1.29 2.50 0.45 0.04 0.00 0.00 177.00 178.70 2gsb n SER 46 N 8.42 0.94 -0.16 6.66 2.88 0.35 -4.75 113.62 127.95 2gsb n SER 46 Ca 0.19 0.16 0.09 0.00 -1.33 0.00 0.00 58.87 57.97 2gsb n SER 46 Cb 0.45 -1.08 0.40 0.00 -0.75 0.00 0.00 64.21 63.24 2gsb n SER 46 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2gsb h ASP 47 N 12.97 0.57 0.21 -3.46 1.82 -1.89 -2.71 116.42 123.92 2gsb h ASP 47 Ca -0.12 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2gsb h ASP 47 Cb 1.32 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.22 2gsb h ASP 47 CO 1.26 0.35 -0.10 -1.13 -1.61 0.00 0.00 179.24 178.01 2gsb h ASN 48 N 0.64 -0.23 -3.62 2.28 -0.73 -1.98 -3.42 115.58 108.52 2gsb h ASN 48 Ca 0.32 -0.29 -0.63 0.00 1.87 0.00 0.00 56.30 57.56 2gsb h ASN 48 Cb 0.40 0.06 -0.14 0.00 0.27 0.00 0.00 38.32 38.91 2gsb h ASN 48 CO -0.11 0.24 -0.06 -0.89 -0.37 0.00 0.00 177.43 176.24 2gsb s THR 49 N -3.95 5.06 -0.21 -3.57 2.01 -1.02 -5.03 115.64 108.93 2gsb s THR 49 Ca -0.13 0.62 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 2gsb s THR 49 Cb 0.01 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2gsb s THR 49 CO 0.51 -0.03 1.60 -2.16 -0.69 0.00 0.00 174.62 173.86 2gsb s PRO 50 N 2.31 3.82 0.00 4.92 0.04 -1.26 -3.15 135.00 141.69 2gsb s PRO 50 Ca 0.19 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2gsb s PRO 50 Cb -0.16 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2gsb s PRO 50 CO 0.11 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.30 2gsb n GLY 51 N 4.60 0.99 3.11 0.56 0.00 -1.26 -5.10 105.19 108.09 2gsb n GLY 51 Ca 0.18 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.49 0.33 0.32 1.61 1.11 -1.19 -4.66 116.67 111.70 2gsb s ASP 52 Ca 0.00 -0.79 0.04 0.00 0.18 0.00 0.00 52.55 51.98 2gsb s ASP 52 Cb 0.00 0.23 -0.06 0.00 1.07 0.00 0.00 42.92 44.16 2gsb s ASP 52 CO 0.00 -0.59 0.05 -0.31 1.18 0.00 0.00 175.17 175.50 2gsb s TYR 53 N -3.48 1.95 -0.28 4.23 2.02 -1.09 0.13 117.35 120.84 2gsb s TYR 53 Ca 0.03 -0.93 -0.16 0.00 -0.37 0.00 0.00 57.07 55.63 2gsb s TYR 53 Cb 0.04 -1.26 0.08 0.00 -0.40 0.00 0.00 41.96 40.42 2gsb s TYR 53 CO -0.09 0.03 0.68 -1.54 -1.57 0.00 0.00 175.55 173.07 2gsb s SER 54 N -3.48 -0.93 0.32 2.29 1.04 -0.66 -1.26 113.70 111.03 2gsb s SER 54 Ca 0.36 1.50 -0.18 0.00 0.48 0.00 0.00 55.95 58.11 2gsb s SER 54 Cb 0.08 1.37 -0.09 0.00 0.10 0.00 0.00 66.02 67.48 2gsb s SER 54 CO 0.15 -0.24 0.78 -0.22 0.98 0.00 0.00 173.24 174.69 2gsb s LEU 55 N 1.58 4.12 -0.17 2.42 2.96 -1.25 -2.75 118.68 125.59 2gsb s LEU 55 Ca -0.10 1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 55.21 2gsb s LEU 55 Cb -0.05 -4.06 0.05 0.00 0.50 0.00 0.00 46.19 42.64 2gsb s LEU 55 CO -0.19 -0.18 0.00 -0.31 -1.32 0.00 0.00 176.35 174.36 2gsb s TYR 56 N -1.90 1.25 0.17 5.38 1.51 -0.06 -1.96 117.35 121.73 2gsb s TYR 56 Ca 0.53 -0.89 0.11 0.00 -1.01 0.00 0.00 57.07 55.81 2gsb s TYR 56 Cb -0.12 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 2gsb s TYR 56 CO 0.18 -0.59 -0.24 0.12 -1.11 0.00 0.00 175.55 173.91 2gsb s PHE 57 N 1.78 2.33 -0.16 2.71 5.36 -1.26 -1.85 117.98 126.89 2gsb s PHE 57 Ca -0.00 -0.36 -0.09 0.00 -0.96 0.00 0.00 56.93 55.52 2gsb s PHE 57 Cb -0.16 -1.19 -0.05 0.00 -0.34 0.00 0.00 43.02 41.29 2gsb s PHE 57 CO -0.07 0.45 0.14 0.50 -1.46 0.00 0.00 175.22 174.77 2gsb s ARG 58 N -2.48 3.83 0.13 10.12 6.06 -1.14 -0.78 118.95 134.70 2gsb s ARG 58 Ca 0.19 -0.17 0.06 0.00 -2.50 0.00 0.00 55.73 53.31 2gsb s ARG 58 Cb -0.09 -3.31 -0.04 0.00 0.06 0.00 0.00 34.95 31.58 2gsb s ARG 58 CO 0.09 0.53 -0.15 0.95 -2.50 0.00 0.00 175.30 174.22 2gsb s THR 59 N -0.31 1.39 0.42 4.11 -4.23 -1.25 -4.39 115.64 111.38 2gsb s THR 59 Ca 0.12 -1.75 0.27 0.00 -1.18 0.00 0.00 61.69 59.15 2gsb s THR 59 Cb -0.12 -1.58 0.45 0.00 1.34 0.00 0.00 72.50 72.60 2gsb s THR 59 CO 0.01 -0.41 1.61 -0.55 -0.54 0.00 0.00 174.62 174.75 2gsb h ASN 60 N 3.47 0.28 0.00 3.99 7.08 -1.99 -2.77 115.58 125.64 2gsb h ASN 60 Ca -0.40 0.17 0.00 0.00 -3.08 0.00 0.00 56.30 52.99 2gsb h ASN 60 Cb 1.20 0.16 0.00 0.00 -2.08 0.00 0.00 38.32 37.59 2gsb h ASN 60 CO 0.51 -0.23 0.00 -0.62 -2.08 0.00 0.00 177.43 175.01 2gsb n GLU 61 N -4.83 0.00 -3.52 4.14 1.02 -1.26 -5.05 120.64 111.14 2gsb n GLU 61 Ca 0.37 0.24 -0.15 0.00 -0.02 0.00 0.00 57.16 57.60 2gsb n GLU 61 Cb 1.38 -0.74 -0.05 0.00 -0.02 0.00 0.00 31.44 32.01 2gsb n GLU 61 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2gsb s ASN 62 N -1.99 -0.57 0.21 1.62 4.22 -1.04 -5.14 114.94 112.25 2gsb s ASN 62 Ca 0.00 0.40 -0.32 0.00 -2.14 0.00 0.00 52.86 50.80 2gsb s ASN 62 Cb 0.00 0.54 -0.14 0.00 1.28 0.00 0.00 41.25 42.93 2gsb s ASN 62 CO 0.00 -0.72 1.36 -0.38 -2.04 0.00 0.00 177.10 175.32 2gsb n ILE 63 N 0.50 0.85 -2.35 0.54 5.41 -1.26 -3.89 119.36 119.16 2gsb n ILE 63 Ca -0.18 -0.21 -0.17 0.00 1.00 0.00 0.00 62.75 63.18 2gsb n ILE 63 Cb 0.60 -1.30 0.10 0.00 -0.71 0.00 0.00 39.64 38.32 2gsb n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2gsb n GLN 64 N 2.07 -0.10 -3.48 0.38 6.02 0.04 -4.95 117.38 117.35 2gsb n GLN 64 Ca 0.13 -1.86 -0.09 0.00 -0.01 0.00 0.00 57.00 55.17 2gsb n GLN 64 Cb 0.29 -0.57 -0.09 0.00 1.02 0.00 0.00 30.24 30.89 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 -4.48 0.34 0.48 -1.09 3.52 -1.26 -4.10 118.95 112.36 2gsb s ARG 65 Ca 0.49 0.76 0.08 0.00 -0.13 0.00 0.00 55.73 56.93 2gsb s ARG 65 Cb -0.02 -0.10 0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2gsb s ARG 65 CO 0.33 -0.47 0.63 -0.06 -0.81 0.00 0.00 175.30 174.92 2gsb s PHE 66 N 2.58 2.25 -0.05 5.12 0.40 -0.83 -4.98 117.98 122.47 2gsb s PHE 66 Ca 0.07 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 2gsb s PHE 66 Cb -0.14 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.12 2gsb s PHE 66 CO -0.14 -0.66 -0.09 -1.59 0.70 0.00 0.00 175.22 173.43 2gsb s LYS 67 N -4.44 1.31 -0.32 0.44 -2.85 -1.26 -3.83 119.74 108.78 2gsb s LYS 67 Ca 0.56 -0.30 0.03 0.00 -1.00 0.00 0.00 55.97 55.26 2gsb s LYS 67 Cb -0.08 -1.14 0.09 0.00 -2.06 0.00 0.00 37.83 34.64 2gsb s LYS 67 CO 0.34 0.01 0.04 0.42 0.10 0.00 0.00 175.35 176.26 2gsb s ILE 68 N 0.66 1.93 -0.00 3.79 1.01 -0.39 -3.60 121.20 124.60 2gsb s ILE 68 Ca -0.12 -2.01 -0.11 0.00 0.00 0.00 0.00 60.65 58.41 2gsb s ILE 68 Cb -0.14 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 2gsb s ILE 68 CO 0.02 -0.53 0.34 0.00 0.00 0.00 0.00 174.94 174.77 2gsb s PRO 70 N -1.35 3.38 0.07 0.00 0.04 -1.26 -1.23 135.00 134.64 2gsb s PRO 70 Ca 0.25 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.97 2gsb s PRO 70 Cb -0.15 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2gsb s PRO 70 CO 0.13 -0.83 -0.17 0.95 0.04 0.00 0.00 177.00 177.12 2gsb s THR 71 N -1.76 1.38 -2.00 1.26 -4.23 -0.91 -4.85 115.64 104.53 2gsb s THR 71 Ca 0.72 -1.33 0.16 0.00 -1.18 0.00 0.00 61.69 60.06 2gsb s THR 71 Cb -0.24 -1.27 0.44 0.00 1.34 0.00 0.00 72.50 72.77 2gsb s THR 71 CO 0.27 -0.08 1.34 -0.81 -0.54 0.00 0.00 174.62 174.80 2gsb n PRO 72 N 1.38 0.49 -1.46 3.99 -0.04 -1.26 -2.97 135.00 135.13 2gsb n PRO 72 Ca -0.20 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 2gsb n PRO 72 Cb 0.54 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 2gsb n PRO 72 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2gsb n ASN 73 N -1.00 6.35 -4.30 3.54 5.15 -1.26 -4.91 115.26 118.84 2gsb n ASN 73 Ca 0.12 -3.77 -0.33 0.00 -0.60 0.00 0.00 54.58 50.00 2gsb n ASN 73 Cb 0.05 -0.79 -0.07 0.00 -0.53 0.00 0.00 39.78 38.44 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 -0.90 -0.33 -3.46 1.20 3.02 -1.16 -4.91 115.26 108.72 2gsb n ASN 74 Ca 0.56 -1.20 -0.15 0.00 -0.03 0.00 0.00 54.58 53.77 2gsb n ASN 74 Cb 0.84 -1.98 -0.06 0.00 -0.61 0.00 0.00 39.78 37.98 2gsb n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2gsb s GLN 75 N -7.16 1.76 -0.02 3.52 -0.21 -1.25 -4.79 119.66 111.51 2gsb s GLN 75 Ca 0.26 -1.73 0.07 0.00 0.02 0.00 0.00 55.36 53.98 2gsb s GLN 75 Cb -0.15 0.40 -0.02 0.00 1.00 0.00 0.00 33.01 34.25 2gsb s GLN 75 CO 0.98 -0.70 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.18 2gsb s PHE 76 N -3.37 1.90 -0.21 0.91 0.08 -1.19 -2.14 117.98 113.96 2gsb s PHE 76 Ca 0.32 -0.36 -0.06 0.00 0.12 0.00 0.00 56.93 56.95 2gsb s PHE 76 Cb 0.01 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2gsb s PHE 76 CO 0.19 -0.03 0.04 -1.64 -0.10 0.00 0.00 175.22 173.68 2gsb s MET 77 N -0.50 3.73 -0.45 0.44 -1.94 -0.37 -2.95 119.30 117.27 2gsb s MET 77 Ca 0.08 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 53.64 2gsb s MET 77 Cb -0.08 -3.19 0.12 0.00 2.01 0.00 0.00 34.83 33.69 2gsb s MET 77 CO -0.01 0.03 0.19 1.41 -0.01 0.00 0.00 175.02 176.63 2gsb s MET 78 N 1.00 1.65 0.00 2.03 1.75 -1.25 -1.49 119.30 123.00 2gsb s MET 78 Ca 0.03 -2.23 0.00 0.00 -1.25 0.00 0.00 55.69 52.24 2gsb s MET 78 Cb -0.14 -3.04 0.00 0.00 2.84 0.00 0.00 34.83 34.49 2gsb s MET 78 CO 0.02 -1.07 0.00 0.41 -0.65 0.00 0.00 175.02 173.74 2gsb n GLY 79 N 3.59 2.14 0.50 2.11 0.00 -1.24 -3.96 105.19 108.33 2gsb n GLY 79 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 3.58 -0.02 0.00 -1.26 -5.14 105.19 102.11 2gsb n GLY 80 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.96 -0.10 1.61 1.81 -1.25 -5.15 118.95 117.82 2gsb s ARG 81 Ca 0.00 -2.19 -0.01 0.00 -1.72 0.00 0.00 55.73 51.81 2gsb s ARG 81 Cb 0.00 -1.00 0.03 0.00 -0.45 0.00 0.00 34.95 33.53 2gsb s ARG 81 CO 0.00 -0.36 -0.06 0.71 -0.68 0.00 0.00 175.30 174.91 2gsb s TYR 82 N -3.09 1.28 0.27 -0.53 2.02 -1.26 -3.76 117.35 112.27 2gsb s TYR 82 Ca 0.22 -0.60 0.12 0.00 -0.37 0.00 0.00 57.07 56.44 2gsb s TYR 82 Cb 0.04 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.43 2gsb s TYR 82 CO 0.12 -0.47 -0.20 0.71 -1.57 0.00 0.00 175.55 174.14 2gsb s TYR 83 N 1.76 2.30 0.05 2.71 1.51 -1.15 -5.03 117.35 119.50 2gsb s TYR 83 Ca 0.05 -0.33 -0.24 0.00 -1.01 0.00 0.00 57.07 55.53 2gsb s TYR 83 Cb -0.12 -1.01 -0.17 0.00 -0.11 0.00 0.00 41.96 40.55 2gsb s TYR 83 CO -0.07 0.69 1.58 -0.97 -1.11 0.00 0.00 175.55 175.66 2gsb h ASN 84 N 2.39 -0.04 -5.02 2.29 -1.24 -1.90 -3.14 115.58 108.92 2gsb h ASN 84 Ca -0.41 -0.15 0.06 0.00 0.71 0.00 0.00 56.30 56.51 2gsb h ASN 84 Cb 1.25 0.01 -0.07 0.00 0.73 0.00 0.00 38.32 40.24 2gsb h ASN 84 CO 0.58 0.12 0.25 -0.44 -1.29 0.00 0.00 177.43 176.66 2gsb s SER 85 N -5.30 -0.33 0.12 1.15 0.01 -1.26 -4.39 113.70 103.69 2gsb s SER 85 Ca -0.14 -0.43 -0.33 0.00 1.31 0.00 0.00 55.95 56.36 2gsb s SER 85 Cb 0.04 0.67 -0.12 0.00 0.21 0.00 0.00 66.02 66.82 2gsb s SER 85 CO 0.66 -1.20 1.54 0.40 0.41 0.00 0.00 173.24 175.04 2gsb h ILE 86 N 2.00 0.00 -0.88 1.44 2.04 -1.96 -0.99 117.51 119.17 2gsb h ILE 86 Ca -0.23 0.00 0.29 0.00 1.00 0.00 0.00 64.86 65.91 2gsb h ILE 86 Cb 1.26 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.18 2gsb h ILE 86 CO 0.27 0.00 0.18 0.61 0.00 0.00 0.00 178.15 179.21 2gsb n GLY 87 N -1.41 -1.01 0.38 5.37 0.00 -1.26 -0.24 105.19 107.02 2gsb n GLY 87 Ca -0.06 0.81 -0.17 0.00 0.00 0.00 0.00 46.02 46.60 2gsb n GLY 87 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2gsb h ASP 88 N 0.00 -0.78 -0.75 1.61 1.82 -1.60 -3.01 116.42 113.70 2gsb h ASP 88 Ca 0.61 -0.00 0.23 0.00 -0.39 0.00 0.00 57.03 57.47 2gsb h ASP 88 Cb 1.40 0.20 -0.14 0.00 0.68 0.00 0.00 39.33 41.48 2gsb h ASP 88 CO -0.77 -0.48 0.10 -0.38 -1.61 0.00 0.00 179.24 176.10 2gsb n ILE 89 N -5.44 -0.32 0.48 2.25 5.41 0.67 0.25 119.36 122.67 2gsb n ILE 89 Ca -0.13 1.62 -0.20 0.00 1.00 0.00 0.00 62.75 65.04 2gsb n ILE 89 Cb 0.38 -2.42 -0.10 0.00 -0.71 0.00 0.00 39.64 36.79 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 0.02 0.09 1.39 5.03 -1.38 -1.85 117.51 120.82 2gsb h ILE 90 Ca 0.49 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 65.26 2gsb h ILE 90 Cb 1.10 0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 34.86 2gsb h ILE 90 CO -0.68 0.00 -0.34 0.44 -0.68 0.00 0.00 178.15 176.89 2gsb h ASP 91 N -1.28 -1.00 -1.16 1.72 3.32 -0.16 0.69 116.42 118.56 2gsb h ASP 91 Ca -0.12 0.12 0.33 0.00 0.02 0.00 0.00 57.03 57.38 2gsb h ASP 91 Cb 1.00 0.38 -0.06 0.00 0.22 0.00 0.00 39.33 40.87 2gsb h ASP 91 CO 0.17 -0.42 0.82 -0.74 -1.72 0.00 0.00 179.24 177.35 2gsb h HIS 92 N -0.55 0.13 0.23 4.55 2.76 -0.95 0.30 115.15 121.62 2gsb h HIS 92 Ca 0.04 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.88 2gsb h HIS 92 Cb 0.59 -0.04 0.03 0.00 1.55 0.00 0.00 27.41 29.55 2gsb h HIS 92 CO -0.32 0.01 -1.49 1.88 -1.30 0.00 0.00 177.93 176.71 2gsb h TYR 93 N 0.07 0.90 -1.17 5.26 0.05 -0.22 -2.87 116.97 118.99 2gsb h TYR 93 Ca 0.57 -0.66 0.34 0.00 0.05 0.00 0.00 58.73 59.04 2gsb h TYR 93 Cb 2.14 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 39.79 2gsb h TYR 93 CO -0.00 1.54 0.92 0.00 -1.05 0.00 0.00 178.16 179.57 2gsb h ARG 94 N 0.13 0.00 0.00 4.88 3.08 0.18 0.90 114.38 123.55 2gsb h ARG 94 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2gsb h ARG 94 Cb 2.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.19 2gsb h ARG 94 CO 0.26 0.00 -1.69 1.63 -1.07 0.00 0.00 179.97 179.10 2gsb n LYS 95 N -3.98 0.60 -4.10 0.04 4.01 -1.16 -4.57 118.16 109.01 2gsb n LYS 95 Ca 0.25 -0.14 -0.33 0.00 -0.51 0.00 0.00 58.31 57.59 2gsb n LYS 95 Cb 1.30 -1.46 -0.16 0.00 -0.51 0.00 0.00 35.03 34.20 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2gsb s GLU 96 N -3.27 2.72 -0.78 1.97 0.41 0.31 -5.05 118.70 115.01 2gsb s GLU 96 Ca -0.04 -0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 53.26 2gsb s GLU 96 Cb 0.13 -2.64 -0.16 0.00 -1.78 0.00 0.00 34.13 29.69 2gsb s GLU 96 CO 0.83 -0.32 2.58 0.00 -0.49 0.00 0.00 175.26 177.85 2gsb n GLN 97 N 4.57 0.44 0.25 1.61 10.64 -1.25 -4.47 117.38 129.17 2gsb n GLN 97 Ca -0.19 -0.00 0.18 0.00 -1.83 0.00 0.00 57.00 55.16 2gsb n GLN 97 Cb 0.48 -2.33 0.88 0.00 -0.86 0.00 0.00 30.24 28.40 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 7.87 0.25 -1.15 -0.39 2.10 -1.46 -3.43 117.51 121.31 2gsb h ILE 98 Ca -0.13 0.00 -0.62 0.00 1.08 0.00 0.00 64.86 65.19 2gsb h ILE 98 Cb 1.29 0.79 -0.10 0.00 -1.09 0.00 0.00 36.82 37.71 2gsb h ILE 98 CO 1.29 0.00 -0.51 -0.69 -1.08 0.00 0.00 178.15 177.17 2gsb s VAL 99 N -4.41 1.83 0.59 2.19 1.01 -1.17 -4.98 120.40 115.47 2gsb s VAL 99 Ca -0.04 -1.84 0.31 0.00 0.00 0.00 0.00 61.98 60.41 2gsb s VAL 99 Cb 0.13 -2.67 0.45 0.00 0.00 0.00 0.00 36.38 34.29 2gsb s VAL 99 CO 0.45 0.00 1.56 1.05 0.00 0.00 0.00 175.10 178.16 2gsb h GLU 100 N 1.42 0.00 0.00 2.72 4.11 -2.02 -3.21 114.58 117.59 2gsb h GLU 100 Ca -0.43 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.86 2gsb h GLU 100 Cb 1.27 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 2gsb h GLU 100 CO 0.73 0.00 -0.05 0.41 0.07 0.00 0.00 179.01 180.17 2gsb n GLY 101 N -1.68 -0.71 3.36 1.06 0.00 -1.26 -5.09 105.19 100.87 2gsb n GLY 101 Ca 0.22 0.47 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.47 0.44 1.61 1.51 -1.21 -5.09 117.35 114.24 2gsb s TYR 102 Ca 0.18 1.06 0.06 0.00 -1.01 0.00 0.00 57.07 57.35 2gsb s TYR 102 Cb 0.27 0.19 -0.06 0.00 -0.11 0.00 0.00 41.96 42.25 2gsb s TYR 102 CO -0.13 -0.32 0.06 0.71 -1.11 0.00 0.00 175.55 174.76 2gsb s TYR 103 N -0.23 2.36 -0.13 2.71 1.51 -1.26 -1.48 117.35 120.83 2gsb s TYR 103 Ca -0.04 -0.72 -0.20 0.00 -1.01 0.00 0.00 57.07 55.10 2gsb s TYR 103 Cb -0.03 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 2gsb s TYR 103 CO 0.02 0.31 0.58 -0.51 -1.11 0.00 0.00 175.55 174.84 2gsb s LEU 104 N -3.81 4.24 -0.02 -1.29 1.43 -1.26 -4.91 118.68 113.05 2gsb s LEU 104 Ca 0.30 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2gsb s LEU 104 Cb 0.06 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 2gsb s LEU 104 CO 0.16 -0.12 -0.05 0.29 0.23 0.00 0.00 176.35 176.86 2gsb n LYS 105 N 4.18 0.07 -3.74 1.70 4.76 -1.19 -4.78 118.16 119.15 2gsb n LYS 105 Ca -0.04 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 2gsb n LYS 105 Cb 0.51 -0.54 -0.11 0.00 -1.84 0.00 0.00 35.03 33.06 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 -1.28 0.41 1.10 1.97 -1.05 -1.03 -5.08 118.70 113.75 2gsb s GLU 106 Ca -0.04 0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 55.15 2gsb s GLU 106 Cb 0.01 0.17 0.24 0.00 -0.44 0.00 0.00 34.13 34.11 2gsb s GLU 106 CO 0.06 -0.06 1.10 -1.25 0.95 0.00 0.00 175.26 176.05 2gsb s PRO 107 N 0.33 -0.44 -0.19 -4.83 0.04 -1.26 -3.84 135.00 124.82 2gsb s PRO 107 Ca -0.01 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.12 2gsb s PRO 107 Cb -0.03 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 2gsb s PRO 107 CO -0.01 -3.25 0.22 0.08 0.04 0.00 0.00 177.00 174.09 2gsb s VAL 108 N -2.99 5.34 0.54 -0.36 1.01 -0.99 -4.79 120.40 118.18 2gsb s VAL 108 Ca 0.68 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 2gsb s VAL 108 Cb -0.14 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 2gsb s VAL 108 CO 0.57 0.39 1.13 -2.16 0.00 0.00 0.00 175.10 175.03 2gsb s PRO 109 N 0.58 3.37 0.17 2.72 0.04 -1.26 -4.46 135.00 136.16 2gsb s PRO 109 Ca 0.12 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 2gsb s PRO 109 Cb -0.12 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2gsb s PRO 109 CO 0.02 -0.83 0.47 0.00 0.04 0.00 0.00 177.00 176.70 2gsb s MET 110 N -3.27 3.76 -0.19 4.56 0.23 -1.26 -5.04 119.30 118.08 2gsb s MET 110 Ca 0.72 0.17 -0.07 0.00 -1.03 0.00 0.00 55.69 55.48 2gsb s MET 110 Cb -0.24 -2.80 -0.04 0.00 -1.53 0.00 0.00 34.83 30.22 2gsb s MET 110 CO 0.27 0.42 0.04 -0.65 -2.03 0.00 0.00 175.02 173.08 2gsb s GLN 111 N -2.51 3.85 -0.46 3.16 -1.52 -1.26 -5.07 119.66 115.84 2gsb s GLN 111 Ca 0.42 -0.41 -0.13 0.00 -1.95 0.00 0.00 55.36 53.29 2gsb s GLN 111 Cb -0.12 -3.18 0.09 0.00 -0.22 0.00 0.00 33.01 29.57 2gsb s GLN 111 CO 0.21 0.16 0.36 0.34 -0.25 0.00 0.00 175.29 176.12 2gsb s ASP 112 N 0.65 5.96 0.03 5.90 2.15 -1.26 -4.87 116.67 125.22 2gsb s ASP 112 Ca 0.02 -1.49 -0.04 0.00 0.43 0.00 0.00 52.55 51.47 2gsb s ASP 112 Cb -0.13 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.36 2gsb s ASP 112 CO 0.02 -0.65 -0.08 1.67 -0.17 0.00 0.00 175.17 175.96 2gsb n GLN 113 N 5.10 0.12 -4.32 4.34 -0.06 -1.26 -5.04 117.38 116.26 2gsb n GLN 113 Ca -0.12 0.05 -0.28 0.00 -2.00 0.00 0.00 57.00 54.65 2gsb n GLN 113 Cb 0.43 -0.71 -0.17 0.00 -4.06 0.00 0.00 30.24 25.73 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 -5.94 2.37 0.00 1.69 1.04 -1.26 -5.14 113.70 106.47 2gsb s SER 114 Ca -0.07 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2gsb s SER 114 Cb 0.01 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.09 2gsb s SER 114 CO 0.10 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2gsb n GLY 115 N 4.36 1.42 3.75 7.32 0.00 -1.26 -5.06 105.19 115.72 2gsb n GLY 115 Ca -0.18 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 2.49 4.43 -0.37 1.61 0.04 -1.26 -5.02 135.00 136.92 2gsb s PRO 116 Ca 0.00 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2gsb s PRO 116 Cb 0.00 -3.16 0.12 0.00 0.04 0.00 0.00 34.50 31.51 2gsb s PRO 116 CO 0.00 -0.14 0.18 -1.12 0.04 0.00 0.00 177.00 175.96 2gsb s SER 117 N -0.14 3.68 -0.08 6.66 0.01 -1.26 -5.10 113.70 117.47 2gsb s SER 117 Ca 0.52 -2.16 -0.30 0.00 1.31 0.00 0.00 55.95 55.31 2gsb s SER 117 Cb -0.37 -0.85 0.11 0.00 0.21 0.00 0.00 66.02 65.13 2gsb s SER 117 CO 0.43 -0.33 0.97 -0.55 0.41 0.00 0.00 173.24 174.17 2gsb s SER 118 N 0.97 -0.33 0.00 2.44 0.15 -1.26 -5.34 113.70 110.33 2gsb s SER 118 Ca 0.15 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2gsb s SER 118 Cb -0.21 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2gsb s SER 118 CO -0.10 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.47