#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 -0.11 -1.49 1.61 0.01 -1.26 -4.98 113.70 107.48 2gsb s SER 2 Ca 0.00 -0.56 -0.11 0.00 1.31 0.00 0.00 55.95 56.59 2gsb s SER 2 Cb 0.00 0.53 0.07 0.00 0.21 0.00 0.00 66.02 66.83 2gsb s SER 2 CO 0.00 -1.02 0.95 -1.20 0.41 0.00 0.00 173.24 172.38 2gsb n SER 3 N -0.77 -4.28 -3.78 2.44 7.64 -1.26 -2.40 113.62 111.22 2gsb n SER 3 Ca -0.05 -0.77 -0.34 0.00 1.01 0.00 0.00 58.87 58.71 2gsb n SER 3 Cb 0.60 -3.97 0.04 0.00 -1.01 0.00 0.00 64.21 59.86 2gsb n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gsb n GLY 4 N -1.70 -0.91 3.87 0.23 0.00 -1.26 -4.95 105.19 100.47 2gsb n GLY 4 Ca -0.02 0.41 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 2gsb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsb s SER 5 N -3.54 6.53 0.41 1.61 0.01 -1.01 -4.99 113.70 112.72 2gsb s SER 5 Ca 0.45 0.63 0.10 0.00 1.31 0.00 0.00 55.95 58.43 2gsb s SER 5 Cb -0.18 -2.13 0.87 0.00 0.21 0.00 0.00 66.02 64.79 2gsb s SER 5 CO 0.89 0.37 1.98 0.77 0.41 0.00 0.00 173.24 177.65 2gsb h SER 6 N 4.78 0.26 -3.04 2.44 4.64 -1.92 -3.42 113.55 117.29 2gsb h SER 6 Ca -0.53 -0.03 -0.61 0.00 -0.47 0.00 0.00 61.79 60.14 2gsb h SER 6 Cb 1.22 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 2gsb h SER 6 CO 0.60 0.32 -0.21 -0.83 -0.87 0.00 0.00 176.83 175.84 2gsb s GLY 7 N -3.96 2.45 -0.17 -0.77 0.00 -1.26 -5.07 107.32 98.54 2gsb s GLY 7 Ca -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.40 2gsb s GLY 7 CO 0.72 0.20 -0.02 1.09 0.00 0.00 0.00 173.10 175.09 2gsb s ARG 8 N -0.85 1.09 0.09 2.90 3.03 -1.26 -4.55 118.95 119.40 2gsb s ARG 8 Ca 0.23 -0.45 -0.23 0.00 2.03 0.00 0.00 55.73 57.31 2gsb s ARG 8 Cb -0.16 -1.97 -0.07 0.00 -1.03 0.00 0.00 34.95 31.72 2gsb s ARG 8 CO 0.12 -0.50 0.68 -1.21 -1.13 0.00 0.00 175.30 173.26 2gsb s GLU 9 N 1.73 4.40 -0.27 3.89 8.01 -1.26 -4.91 118.70 130.28 2gsb s GLU 9 Ca 0.00 0.94 -0.07 0.00 0.01 0.00 0.00 54.97 55.85 2gsb s GLU 9 Cb -0.16 -3.29 -0.01 0.00 -4.31 0.00 0.00 34.13 26.37 2gsb s GLU 9 CO -0.07 0.51 0.07 -1.21 0.01 0.00 0.00 175.26 174.57 2gsb s GLU 10 N -0.79 3.37 -0.14 1.61 0.41 -1.26 -4.40 118.70 117.51 2gsb s GLU 10 Ca 0.33 -0.67 -0.15 0.00 -0.41 0.00 0.00 54.97 54.07 2gsb s GLU 10 Cb -0.21 -3.34 0.04 0.00 -1.78 0.00 0.00 34.13 28.84 2gsb s GLU 10 CO 0.22 -0.32 0.41 0.34 -0.49 0.00 0.00 175.26 175.43 2gsb s ASP 11 N 1.56 -0.42 0.32 -0.19 2.15 -1.26 -5.05 116.67 113.78 2gsb s ASP 11 Ca 0.05 0.76 0.11 0.00 0.43 0.00 0.00 52.55 53.89 2gsb s ASP 11 Cb -0.16 0.79 0.53 0.00 -0.30 0.00 0.00 42.92 43.77 2gsb s ASP 11 CO 0.03 -0.19 1.72 1.55 -0.17 0.00 0.00 175.17 178.10 2gsb h PRO 12 N 5.24 0.04 -0.63 4.34 0.13 -1.98 -3.12 132.00 136.02 2gsb h PRO 12 Ca -0.27 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 2gsb h PRO 12 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2gsb h PRO 12 CO 0.26 0.51 0.28 1.25 -0.23 0.00 0.00 178.00 180.08 2gsb h HIS 13 N 0.03 0.93 -0.42 1.56 -0.00 -2.00 -2.26 115.15 112.99 2gsb h HIS 13 Ca -0.00 -0.06 -0.24 0.00 -0.00 0.00 0.00 60.37 60.07 2gsb h HIS 13 Cb 0.86 -0.28 -0.13 0.00 -0.00 0.00 0.00 27.41 27.86 2gsb h HIS 13 CO 0.00 0.72 0.31 -0.85 -0.00 0.00 0.00 177.93 178.11 2gsb n GLU 14 N -4.47 1.59 -0.41 5.26 0.28 -1.18 -3.64 120.64 118.08 2gsb n GLU 14 Ca 0.04 -1.30 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 2gsb n GLU 14 Cb 0.14 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gsb n GLY 15 N 0.04 0.92 3.68 -1.84 0.00 -0.90 -4.83 105.19 102.25 2gsb n GLY 15 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 1.05 0.45 1.61 -0.14 -0.91 -4.88 119.74 116.92 2gsb s LYS 16 Ca 0.00 1.20 0.13 0.00 -1.36 0.00 0.00 55.97 55.95 2gsb s LYS 16 Cb 0.00 -1.76 1.03 0.00 -1.68 0.00 0.00 37.83 35.42 2gsb s LYS 16 CO 0.00 -2.50 2.03 0.97 -0.76 0.00 0.00 175.35 175.09 2gsb h ILE 17 N -1.76 1.10 0.00 2.17 2.10 -1.91 -1.77 117.51 117.44 2gsb h ILE 17 Ca -0.47 -0.43 -0.02 0.00 1.08 0.00 0.00 64.86 65.02 2gsb h ILE 17 Cb 1.27 1.13 -0.00 0.00 -1.09 0.00 0.00 36.82 38.13 2gsb h ILE 17 CO 0.48 0.13 -0.78 4.11 -1.08 0.00 0.00 178.15 181.01 2gsb h TRP 18 N 0.10 0.00 -4.40 2.19 5.08 -1.91 -3.38 115.95 113.63 2gsb h TRP 18 Ca 0.02 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.49 2gsb h TRP 18 Cb 0.20 0.00 0.07 0.00 -3.00 0.00 0.00 29.16 26.43 2gsb h TRP 18 CO 0.00 0.06 0.41 0.12 -1.28 0.00 0.00 178.44 177.75 2gsb s PHE 19 N -3.28 3.44 -0.24 0.12 5.36 -0.67 -0.99 117.98 121.72 2gsb s PHE 19 Ca 0.01 1.12 -0.07 0.00 -0.96 0.00 0.00 56.93 57.04 2gsb s PHE 19 Cb 0.08 -2.92 0.12 0.00 -0.34 0.00 0.00 43.02 39.96 2gsb s PHE 19 CO 0.76 -0.98 0.49 -1.01 -1.46 0.00 0.00 175.22 173.03 2gsb s HIS 20 N -3.28 -1.03 0.00 10.12 3.76 0.28 -4.70 115.29 120.45 2gsb s HIS 20 Ca 0.57 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 57.15 2gsb s HIS 20 Cb -0.11 0.43 0.00 0.00 1.11 0.00 0.00 32.58 34.01 2gsb s HIS 20 CO 0.52 -0.60 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 2gsb n GLY 21 N 5.41 0.00 0.31 -2.22 0.00 -1.26 -4.28 105.19 103.14 2gsb n GLY 21 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 1.08 0.00 1.61 1.57 -1.95 -3.44 116.57 115.44 2gsb h LYS 22 Ca 0.00 -0.26 -0.25 0.00 -1.87 0.00 0.00 60.65 58.27 2gsb h LYS 22 Cb 0.57 -0.15 0.11 0.00 0.08 0.00 0.00 32.23 32.85 2gsb h LYS 22 CO 0.00 0.96 0.15 0.44 -0.57 0.00 0.00 179.45 180.43 2gsb n ILE 23 N -4.28 0.00 -4.39 1.86 -5.35 -1.26 -5.10 119.36 100.84 2gsb n ILE 23 Ca 0.05 -0.42 -0.20 0.00 -0.27 0.00 0.00 62.75 61.91 2gsb n ILE 23 Cb 0.25 -1.37 -0.10 0.00 -1.74 0.00 0.00 39.64 36.68 2gsb n ILE 23 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2gsb s SER 24 N -3.58 2.44 0.27 7.28 0.15 -1.26 -5.02 113.70 113.98 2gsb s SER 24 Ca 0.44 -1.19 0.01 0.00 0.70 0.00 0.00 55.95 55.91 2gsb s SER 24 Cb -0.03 -0.11 0.59 0.00 -1.71 0.00 0.00 66.02 64.76 2gsb s SER 24 CO 0.33 -0.39 1.76 0.50 1.20 0.00 0.00 173.24 176.63 2gsb h LYS 25 N 2.36 0.60 -0.35 5.44 3.64 -1.98 0.38 116.57 126.67 2gsb h LYS 25 Ca -0.39 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2gsb h LYS 25 Cb 1.23 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2gsb h LYS 25 CO 0.66 0.40 0.15 0.37 -2.27 0.00 0.00 179.45 178.76 2gsb h GLN 26 N 0.62 0.51 -0.28 1.90 5.75 -2.01 -2.83 115.11 118.77 2gsb h GLN 26 Ca 0.49 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.90 2gsb h GLN 26 Cb 0.74 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 2gsb h GLN 26 CO -0.39 0.49 0.15 0.93 -2.65 0.00 0.00 178.83 177.37 2gsb h GLU 27 N 0.42 0.39 -0.98 1.69 5.08 -1.57 -2.65 114.58 116.95 2gsb h GLU 27 Ca 0.12 -0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.64 2gsb h GLU 27 Cb 0.16 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.22 2gsb h GLU 27 CO -0.01 0.35 0.57 0.00 -1.00 0.00 0.00 179.01 178.92 2gsb h ALA 28 N 1.03 1.66 -0.25 3.43 0.00 -0.86 0.23 119.26 124.49 2gsb h ALA 28 Ca 0.10 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2gsb h ALA 28 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2gsb h ALA 28 CO -0.02 -0.15 -0.04 1.88 0.00 0.00 0.00 179.25 180.93 2gsb h TYR 29 N 0.66 -0.09 -0.24 0.00 0.05 -1.22 0.57 116.97 116.70 2gsb h TYR 29 Ca 0.59 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 59.21 2gsb h TYR 29 Cb 1.00 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2gsb h TYR 29 CO -0.02 -0.09 -0.56 -0.97 -1.05 0.00 0.00 178.16 175.47 2gsb h ASN 30 N 0.02 0.90 -0.23 3.88 -1.24 -1.14 -2.87 115.58 114.90 2gsb h ASN 30 Ca 0.12 -0.56 0.05 0.00 0.71 0.00 0.00 56.30 56.62 2gsb h ASN 30 Cb 0.17 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 2gsb h ASN 30 CO -0.24 1.30 -0.05 -0.07 -1.29 0.00 0.00 177.43 177.08 2gsb h LEU 31 N 0.55 -0.20 -1.42 0.34 3.38 -0.24 0.63 115.31 118.35 2gsb h LEU 31 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2gsb h LEU 31 Cb 1.17 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2gsb h LEU 31 CO 0.12 -0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.51 2gsb h LEU 32 N 0.01 0.00 0.00 1.67 3.38 -0.93 0.99 115.31 120.43 2gsb h LEU 32 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2gsb h LEU 32 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2gsb h LEU 32 CO -0.23 0.00 -1.37 0.23 0.09 0.00 0.00 178.44 177.16 2gsb n MET 33 N -2.67 0.48 -0.03 1.13 2.81 0.05 -3.37 117.12 115.51 2gsb n MET 33 Ca 0.00 -0.04 -0.05 0.00 -1.81 0.00 0.00 57.70 55.80 2gsb n MET 33 Cb 0.21 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.22 1.37 0.01 2.03 -2.24 0.20 -4.78 114.28 108.65 2gsb n THR 34 Ca -0.01 0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.94 2gsb n THR 34 Cb 0.51 -2.00 -0.13 0.00 -2.10 0.00 0.00 70.33 66.60 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 -0.55 1.16 -3.79 2.28 -1.51 0.63 -3.47 116.25 111.00 2gsb h VAL 35 Ca -0.01 -2.96 -0.49 0.00 -1.23 0.00 0.00 66.70 62.00 2gsb h VAL 35 Cb 0.58 2.58 0.02 0.00 -2.13 0.00 0.00 31.29 32.33 2gsb h VAL 35 CO -0.01 0.67 0.17 -0.83 -1.23 0.00 0.00 177.57 176.34 2gsb s GLY 36 N -4.96 1.85 0.21 5.19 0.00 0.78 -4.96 107.32 105.42 2gsb s GLY 36 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.52 2gsb s GLY 36 CO 0.82 0.00 0.09 -1.06 0.00 0.00 0.00 173.10 172.95 2gsb n GLN 37 N -1.63 0.68 0.00 2.90 6.02 -1.25 -4.34 117.38 119.75 2gsb n GLN 37 Ca 0.03 -1.78 0.03 0.00 -0.01 0.00 0.00 57.00 55.27 2gsb n GLN 37 Cb 0.54 1.03 0.14 0.00 1.02 0.00 0.00 30.24 32.98 2gsb n GLN 37 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2gsb n VAL 38 N -0.46 0.49 -2.62 5.09 3.14 -1.26 -2.08 118.33 120.63 2gsb n VAL 38 Ca -0.02 0.12 -0.11 0.00 -2.96 0.00 0.00 64.34 61.38 2gsb n VAL 38 Cb 0.32 -1.04 0.03 0.00 -1.06 0.00 0.00 33.84 32.09 2gsb n VAL 38 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gsb s SER 40 N -3.44 -0.32 0.35 0.00 0.15 -0.89 -3.18 113.70 106.37 2gsb s SER 40 Ca 0.33 0.62 0.06 0.00 0.70 0.00 0.00 55.95 57.66 2gsb s SER 40 Cb 0.40 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 65.32 2gsb s SER 40 CO -0.02 -0.11 0.24 0.72 1.20 0.00 0.00 173.24 175.27 2gsb s PHE 41 N 0.14 1.76 0.01 3.44 -0.71 -1.26 -2.38 117.98 118.99 2gsb s PHE 41 Ca -0.00 -1.59 -0.28 0.00 -1.04 0.00 0.00 56.93 54.03 2gsb s PHE 41 Cb -0.02 -0.81 0.09 0.00 -1.21 0.00 0.00 43.02 41.06 2gsb s PHE 41 CO 0.00 -0.75 0.76 -0.48 -1.34 0.00 0.00 175.22 173.42 2gsb s LEU 42 N -3.43 -0.50 -0.03 -1.99 0.05 0.25 -1.42 118.68 111.61 2gsb s LEU 42 Ca 0.37 0.25 0.01 0.00 0.05 0.00 0.00 54.13 54.80 2gsb s LEU 42 Cb 0.02 2.31 -0.03 0.00 -2.05 0.00 0.00 46.19 46.44 2gsb s LEU 42 CO 0.25 -0.68 -0.04 -0.69 -0.55 0.00 0.00 176.35 174.64 2gsb s VAL 43 N -2.51 3.92 0.04 1.48 1.01 -0.17 -0.94 120.40 123.22 2gsb s VAL 43 Ca -0.01 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2gsb s VAL 43 Cb -0.01 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.73 2gsb s VAL 43 CO -0.04 0.48 0.43 0.00 0.00 0.00 0.00 175.10 175.97 2gsb s ARG 44 N -1.19 0.92 0.41 2.72 1.70 -1.12 -0.55 118.95 121.83 2gsb s ARG 44 Ca 0.16 -0.32 -0.25 0.00 -0.47 0.00 0.00 55.73 54.85 2gsb s ARG 44 Cb -0.11 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 2gsb s ARG 44 CO 0.06 -0.31 1.19 -1.25 -1.08 0.00 0.00 175.30 173.90 2gsb s PRO 45 N -2.36 4.02 1.06 3.89 0.04 -1.26 -2.33 135.00 138.06 2gsb s PRO 45 Ca -0.06 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 2gsb s PRO 45 Cb -0.01 -2.67 0.08 0.00 0.04 0.00 0.00 34.50 31.95 2gsb s PRO 45 CO -0.01 -0.36 -0.14 0.43 0.04 0.00 0.00 177.00 176.96 2gsb n SER 46 N 0.04 -2.67 -4.62 6.66 7.64 -1.14 -4.82 113.62 114.71 2gsb n SER 46 Ca 0.04 -0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.30 2gsb n SER 46 Cb 0.46 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 2gsb n SER 46 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2gsb s ASP 47 N -1.75 6.59 -1.83 6.43 1.47 -1.26 -3.73 116.67 122.59 2gsb s ASP 47 Ca 0.46 1.16 -0.23 0.00 1.18 0.00 0.00 52.55 55.12 2gsb s ASP 47 Cb -0.06 -2.54 0.23 0.00 -0.34 0.00 0.00 42.92 40.21 2gsb s ASP 47 CO 0.55 -1.16 0.58 0.59 0.68 0.00 0.00 175.17 176.42 2gsb n ASN 48 N 7.90 -1.82 -3.69 2.11 4.13 -1.26 -4.87 115.26 117.75 2gsb n ASN 48 Ca 0.15 -1.19 -0.30 0.00 1.68 0.00 0.00 54.58 54.92 2gsb n ASN 48 Cb 0.47 -1.59 -0.13 0.00 -1.54 0.00 0.00 39.78 36.98 2gsb n ASN 48 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2gsb s THR 49 N -3.21 1.16 -0.94 3.41 2.01 -1.24 -5.07 115.64 111.76 2gsb s THR 49 Ca 0.81 -2.23 -0.24 0.00 0.31 0.00 0.00 61.69 60.34 2gsb s THR 49 Cb -0.47 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 2gsb s THR 49 CO 1.00 -0.86 1.94 -2.16 -0.69 0.00 0.00 174.62 173.85 2gsb s PRO 50 N 0.69 2.55 0.00 4.92 0.04 -1.26 -2.60 135.00 139.34 2gsb s PRO 50 Ca 0.16 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.80 2gsb s PRO 50 Cb -0.23 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.22 2gsb s PRO 50 CO -0.04 -3.45 0.00 0.41 0.04 0.00 0.00 177.00 173.96 2gsb n GLY 51 N 6.72 0.63 4.01 0.56 0.00 -1.26 -5.15 105.19 110.71 2gsb n GLY 51 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 5.10 0.30 1.61 1.11 -1.07 -4.56 116.67 119.17 2gsb s ASP 52 Ca 0.00 -0.85 -0.18 0.00 0.18 0.00 0.00 52.55 51.70 2gsb s ASP 52 Cb 0.00 0.20 0.02 0.00 1.07 0.00 0.00 42.92 44.21 2gsb s ASP 52 CO 0.00 -1.24 0.70 -0.31 1.18 0.00 0.00 175.17 175.50 2gsb s TYR 53 N -2.64 -0.02 -0.25 4.23 2.02 -1.17 -2.87 117.35 116.65 2gsb s TYR 53 Ca 0.58 -0.47 -0.26 0.00 -0.37 0.00 0.00 57.07 56.54 2gsb s TYR 53 Cb -0.06 0.66 0.10 0.00 -0.40 0.00 0.00 41.96 42.27 2gsb s TYR 53 CO 0.36 -1.29 0.91 -1.12 -1.57 0.00 0.00 175.55 172.85 2gsb s SER 54 N -2.98 -0.54 0.14 2.29 0.01 -0.98 -2.34 113.70 109.30 2gsb s SER 54 Ca 0.14 0.98 -0.02 0.00 1.31 0.00 0.00 55.95 58.36 2gsb s SER 54 Cb -0.05 0.97 -0.05 0.00 0.21 0.00 0.00 66.02 67.10 2gsb s SER 54 CO 0.09 -0.23 0.34 -0.22 0.41 0.00 0.00 173.24 173.62 2gsb s LEU 55 N 0.04 4.28 -0.12 2.44 0.20 -1.26 -2.80 118.68 121.46 2gsb s LEU 55 Ca 0.01 0.44 -0.00 0.00 0.69 0.00 0.00 54.13 55.27 2gsb s LEU 55 Cb -0.04 -3.17 0.02 0.00 -0.43 0.00 0.00 46.19 42.57 2gsb s LEU 55 CO -0.02 0.05 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.70 2gsb s TYR 56 N -1.69 1.53 -0.02 5.38 1.51 -0.12 -2.61 117.35 121.33 2gsb s TYR 56 Ca 0.39 -0.77 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 2gsb s TYR 56 Cb -0.12 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 2gsb s TYR 56 CO 0.27 -0.52 -0.10 0.12 -1.11 0.00 0.00 175.55 174.21 2gsb s PHE 57 N 1.68 0.97 -0.01 2.71 5.36 -1.26 -0.58 117.98 126.85 2gsb s PHE 57 Ca 0.05 -0.23 -0.12 0.00 -0.96 0.00 0.00 56.93 55.67 2gsb s PHE 57 Cb -0.13 -0.68 -0.05 0.00 -0.34 0.00 0.00 43.02 41.82 2gsb s PHE 57 CO -0.08 -0.08 0.35 0.50 -1.46 0.00 0.00 175.22 174.45 2gsb s ARG 58 N 0.08 3.79 0.34 10.12 3.52 -1.00 -1.75 118.95 134.05 2gsb s ARG 58 Ca -0.01 0.25 0.09 0.00 -0.13 0.00 0.00 55.73 55.92 2gsb s ARG 58 Cb -0.08 -3.17 -0.07 0.00 -1.56 0.00 0.00 34.95 30.08 2gsb s ARG 58 CO 0.00 0.69 -0.08 0.95 -0.81 0.00 0.00 175.30 176.05 2gsb s THR 59 N -1.13 2.13 0.28 4.11 -4.23 -1.18 -3.94 115.64 111.67 2gsb s THR 59 Ca 0.24 -2.17 0.19 0.00 -1.18 0.00 0.00 61.69 58.77 2gsb s THR 59 Cb -0.15 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.22 2gsb s THR 59 CO 0.13 -0.19 1.53 -0.55 -0.54 0.00 0.00 174.62 174.99 2gsb h ASN 60 N 2.03 0.00 0.00 3.99 -0.00 -1.94 -3.15 115.58 116.51 2gsb h ASN 60 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.88 2gsb h ASN 60 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 2gsb h ASN 60 CO 0.71 0.00 0.00 -0.62 -0.00 0.00 0.00 177.43 177.52 2gsb n GLU 61 N -2.38 0.00 -3.81 4.14 1.02 -1.26 -5.09 120.64 113.26 2gsb n GLU 61 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 2gsb n GLU 61 Cb 0.36 -0.25 -0.05 0.00 -0.02 0.00 0.00 31.44 31.48 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 -2.49 -0.13 0.24 1.62 2.20 -1.19 -5.14 114.94 110.05 2gsb s ASN 62 Ca 0.00 -0.61 -0.30 0.00 -0.94 0.00 0.00 52.86 51.02 2gsb s ASN 62 Cb 0.00 0.50 -0.09 0.00 -2.00 0.00 0.00 41.25 39.66 2gsb s ASN 62 CO 0.00 -0.95 1.34 -0.63 -2.94 0.00 0.00 177.10 173.92 2gsb s ILE 63 N -3.90 2.94 0.34 0.54 1.01 -1.26 -3.13 121.20 117.75 2gsb s ILE 63 Ca 0.11 0.82 0.05 0.00 0.00 0.00 0.00 60.65 61.62 2gsb s ILE 63 Cb 0.01 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 39.01 2gsb s ILE 63 CO -0.04 0.14 0.41 0.00 0.00 0.00 0.00 174.94 175.45 2gsb n GLN 64 N 2.14 0.84 -3.71 2.79 6.02 -0.72 -4.97 117.38 119.77 2gsb n GLN 64 Ca 0.05 -1.92 -0.13 0.00 -0.01 0.00 0.00 57.00 54.99 2gsb n GLN 64 Cb 0.42 -0.04 -0.13 0.00 1.02 0.00 0.00 30.24 31.51 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 -3.50 0.18 0.41 -1.09 3.52 -1.26 -4.22 118.95 112.98 2gsb s ARG 65 Ca 0.31 0.57 0.05 0.00 -0.13 0.00 0.00 55.73 56.53 2gsb s ARG 65 Cb -0.02 -0.11 0.05 0.00 -1.56 0.00 0.00 34.95 33.30 2gsb s ARG 65 CO 0.20 -0.20 0.42 1.19 -0.81 0.00 0.00 175.30 176.10 2gsb n PHE 66 N 4.51 -1.54 -3.69 5.12 3.72 -1.07 -5.03 117.46 119.48 2gsb n PHE 66 Ca -0.20 -1.62 -0.16 0.00 -0.05 0.00 0.00 57.45 55.41 2gsb n PHE 66 Cb 0.52 -0.36 -0.16 0.00 -0.94 0.00 0.00 39.48 38.55 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 -3.75 0.03 -0.36 -1.08 1.02 -1.26 -4.38 119.74 109.96 2gsb s LYS 67 Ca 0.32 0.49 0.04 0.00 0.02 0.00 0.00 55.97 56.83 2gsb s LYS 67 Cb -0.03 -0.28 0.10 0.00 -0.52 0.00 0.00 37.83 37.10 2gsb s LYS 67 CO 0.20 -0.28 0.08 0.42 -0.92 0.00 0.00 175.35 174.85 2gsb s ILE 68 N 2.02 2.23 0.16 2.17 1.01 -0.99 -4.26 121.20 123.55 2gsb s ILE 68 Ca 0.01 -2.41 -0.23 0.00 0.00 0.00 0.00 60.65 58.02 2gsb s ILE 68 Cb -0.12 -2.64 -0.08 0.00 0.01 0.00 0.00 42.46 39.63 2gsb s ILE 68 CO -0.05 -0.63 0.73 0.00 0.00 0.00 0.00 174.94 174.99 2gsb s PRO 70 N -1.29 2.79 0.09 0.00 0.04 -1.26 -1.38 135.00 133.99 2gsb s PRO 70 Ca 0.36 1.39 0.06 0.00 0.04 0.00 0.00 61.00 62.84 2gsb s PRO 70 Cb -0.21 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2gsb s PRO 70 CO 0.24 -1.25 -0.15 0.95 0.04 0.00 0.00 177.00 176.82 2gsb s THR 71 N -2.35 1.26 -1.53 1.26 -4.23 -0.94 -4.83 115.64 104.28 2gsb s THR 71 Ca 0.67 -1.47 0.15 0.00 -1.18 0.00 0.00 61.69 59.86 2gsb s THR 71 Cb -0.20 -1.28 0.29 0.00 1.34 0.00 0.00 72.50 72.65 2gsb s THR 71 CO 0.42 -0.26 1.40 -0.81 -0.54 0.00 0.00 174.62 174.82 2gsb n PRO 72 N 1.02 0.26 -1.63 3.99 -0.04 -1.26 -3.18 135.00 134.17 2gsb n PRO 72 Ca -0.19 0.12 -0.36 0.00 -0.04 0.00 0.00 63.50 63.03 2gsb n PRO 72 Cb 0.55 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.24 7.37 -4.20 3.54 4.13 -1.26 -4.88 115.26 118.73 2gsb n ASN 73 Ca 0.08 -3.80 -0.37 0.00 1.68 0.00 0.00 54.58 52.16 2gsb n ASN 73 Cb 0.11 -0.95 -0.07 0.00 -1.54 0.00 0.00 39.78 37.32 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 -0.75 -1.38 -3.05 6.41 3.02 -1.19 -4.86 115.26 113.46 2gsb n ASN 74 Ca 0.58 -1.11 -0.18 0.00 -0.03 0.00 0.00 54.58 53.84 2gsb n ASN 74 Cb 0.53 -1.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.21 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gsb n GLN 75 N -3.71 0.40 -4.34 3.52 6.02 -1.25 -4.83 117.38 113.20 2gsb n GLN 75 Ca 0.07 -2.91 -0.22 0.00 -0.01 0.00 0.00 57.00 53.93 2gsb n GLN 75 Cb 0.42 2.24 -0.13 0.00 1.02 0.00 0.00 30.24 33.79 2gsb n GLN 75 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gsb s PHE 76 N -3.12 1.49 -0.16 1.08 0.40 -1.22 -2.22 117.98 114.22 2gsb s PHE 76 Ca 0.32 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2gsb s PHE 76 Cb 0.02 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 2gsb s PHE 76 CO 0.22 0.10 -0.09 -1.64 0.70 0.00 0.00 175.22 174.52 2gsb s MET 77 N -1.53 3.44 -0.33 0.44 -1.94 -0.48 -3.19 119.30 115.71 2gsb s MET 77 Ca 0.03 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.37 2gsb s MET 77 Cb -0.09 -2.80 0.11 0.00 2.01 0.00 0.00 34.83 34.06 2gsb s MET 77 CO 0.02 0.09 0.13 1.41 -0.01 0.00 0.00 175.02 176.67 2gsb s MET 78 N 0.70 0.73 -0.31 2.03 1.75 -1.10 -2.11 119.30 120.99 2gsb s MET 78 Ca -0.04 -1.18 -0.00 0.00 -1.25 0.00 0.00 55.69 53.21 2gsb s MET 78 Cb -0.15 -1.88 -0.01 0.00 2.84 0.00 0.00 34.83 35.63 2gsb s MET 78 CO 0.02 -1.04 0.26 0.41 -0.65 0.00 0.00 175.02 174.03 2gsb n GLY 79 N 4.61 0.26 2.80 2.11 0.00 -1.26 -3.65 105.19 110.06 2gsb n GLY 79 Ca 0.01 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2gsb n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsb n GLY 80 N -1.15 -0.51 3.28 -0.02 0.00 -1.26 -4.98 105.19 100.55 2gsb n GLY 80 Ca -0.06 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.46 1.14 -0.04 1.61 0.52 -1.24 -5.15 118.95 110.32 2gsb s ARG 81 Ca 0.19 -1.40 0.07 0.00 -0.52 0.00 0.00 55.73 54.07 2gsb s ARG 81 Cb -0.09 -0.94 -0.01 0.00 0.52 0.00 0.00 34.95 34.43 2gsb s ARG 81 CO 0.23 0.16 -0.24 0.71 0.02 0.00 0.00 175.30 176.18 2gsb s TYR 82 N -2.63 2.28 -0.07 -0.53 2.02 -1.26 -2.71 117.35 114.44 2gsb s TYR 82 Ca 0.15 -0.56 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 2gsb s TYR 82 Cb -0.02 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2gsb s TYR 82 CO 0.04 -0.13 0.19 0.71 -1.57 0.00 0.00 175.55 174.79 2gsb s TYR 83 N -0.35 -0.21 0.23 2.71 1.51 -1.19 -5.05 117.35 115.00 2gsb s TYR 83 Ca 0.03 0.53 -0.16 0.00 -1.01 0.00 0.00 57.07 56.45 2gsb s TYR 83 Cb -0.12 0.05 0.26 0.00 -0.11 0.00 0.00 41.96 42.04 2gsb s TYR 83 CO 0.01 -0.12 1.53 -1.71 -1.11 0.00 0.00 175.55 174.15 2gsb n ASN 84 N 3.30 -0.61 -3.51 2.29 5.15 -1.26 -3.42 115.26 117.20 2gsb n ASN 84 Ca -0.16 1.71 -0.14 0.00 -0.60 0.00 0.00 54.58 55.40 2gsb n ASN 84 Cb 0.57 -0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 2gsb n ASN 84 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2gsb s SER 85 N -5.34 -0.52 0.14 1.20 0.15 -1.26 -4.43 113.70 103.64 2gsb s SER 85 Ca -0.14 0.17 -0.22 0.00 0.70 0.00 0.00 55.95 56.46 2gsb s SER 85 Cb 0.21 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 65.07 2gsb s SER 85 CO 0.71 -0.81 1.26 -0.38 1.20 0.00 0.00 173.24 175.22 2gsb n ILE 86 N 0.15 -0.52 -0.31 6.45 5.41 -1.26 0.63 119.36 129.89 2gsb n ILE 86 Ca -0.18 1.95 0.13 0.00 1.00 0.00 0.00 62.75 65.66 2gsb n ILE 86 Cb 0.62 -2.46 0.27 0.00 -0.71 0.00 0.00 39.64 37.36 2gsb n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gsb n GLY 87 N -1.25 -1.24 0.50 7.39 0.00 -1.26 -0.49 105.19 108.84 2gsb n GLY 87 Ca 0.03 0.89 -0.20 0.00 0.00 0.00 0.00 46.02 46.75 2gsb n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gsb h ASP 88 N 0.00 -1.15 -0.79 1.61 5.19 -0.22 -2.62 116.42 118.44 2gsb h ASP 88 Ca 0.55 0.06 0.31 0.00 -0.62 0.00 0.00 57.03 57.33 2gsb h ASP 88 Cb 1.13 0.32 -0.14 0.00 0.18 0.00 0.00 39.33 40.82 2gsb h ASP 88 CO -0.85 -0.73 0.36 -0.38 -3.12 0.00 0.00 179.24 174.52 2gsb n ILE 89 N -5.61 -0.33 0.09 0.35 5.41 0.35 -0.73 119.36 118.88 2gsb n ILE 89 Ca -0.15 1.63 -0.03 0.00 1.00 0.00 0.00 62.75 65.20 2gsb n ILE 89 Cb 0.49 -2.60 -0.02 0.00 -0.71 0.00 0.00 39.64 36.80 2gsb n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2gsb h ILE 90 N 0.00 0.00 -1.58 1.39 2.04 -1.25 -0.72 117.51 117.38 2gsb h ILE 90 Ca 0.64 -0.02 0.46 0.00 1.00 0.00 0.00 64.86 66.94 2gsb h ILE 90 Cb 1.66 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 2gsb h ILE 90 CO -0.63 0.00 1.14 0.44 0.00 0.00 0.00 178.15 179.10 2gsb h ASP 91 N -0.25 0.01 -0.04 1.72 3.32 -0.82 0.63 116.42 120.98 2gsb h ASP 91 Ca -0.02 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2gsb h ASP 91 Cb 0.17 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.73 2gsb h ASP 91 CO 0.04 -0.00 -0.39 -0.74 -1.72 0.00 0.00 179.24 176.42 2gsb h HIS 92 N 0.00 0.47 -0.64 4.55 2.76 -1.00 -3.30 115.15 118.00 2gsb h HIS 92 Ca 0.76 -0.23 -0.01 0.00 -2.20 0.00 0.00 60.37 58.69 2gsb h HIS 92 Cb 3.02 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 31.89 2gsb h HIS 92 CO -0.00 1.00 0.36 1.88 -1.30 0.00 0.00 177.93 179.87 2gsb h TYR 93 N -0.19 0.87 -1.00 5.26 0.05 0.18 -0.23 116.97 121.91 2gsb h TYR 93 Ca -0.04 -0.02 0.39 0.00 0.05 0.00 0.00 58.73 59.12 2gsb h TYR 93 Cb 1.08 -0.28 -0.17 0.00 1.01 0.00 0.00 36.73 38.37 2gsb h TYR 93 CO 0.14 0.62 0.52 0.00 -1.05 0.00 0.00 178.16 178.39 2gsb h ARG 94 N 0.87 0.06 0.00 4.88 3.08 -1.26 0.97 114.38 122.98 2gsb h ARG 94 Ca 0.23 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2gsb h ARG 94 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2gsb h ARG 94 CO -0.04 0.04 -1.63 0.36 -1.07 0.00 0.00 179.97 177.63 2gsb n LYS 95 N -5.23 0.53 -4.05 0.04 2.85 -1.00 -4.68 118.16 106.62 2gsb n LYS 95 Ca 0.36 -0.11 -0.33 0.00 -1.05 0.00 0.00 58.31 57.18 2gsb n LYS 95 Cb 1.21 -1.57 -0.15 0.00 -0.65 0.00 0.00 35.03 33.86 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 -3.40 2.84 -0.33 -1.58 0.41 0.34 -5.07 118.70 111.90 2gsb s GLU 96 Ca -0.04 -0.95 -0.41 0.00 -0.41 0.00 0.00 54.97 53.16 2gsb s GLU 96 Cb 0.14 -2.77 -0.16 0.00 -1.78 0.00 0.00 34.13 29.55 2gsb s GLU 96 CO 0.88 -0.33 1.76 1.04 -0.49 0.00 0.00 175.26 178.12 2gsb n GLN 97 N 4.61 0.92 0.14 1.61 6.02 -1.24 -4.20 117.38 125.23 2gsb n GLN 97 Ca -0.18 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 2gsb n GLN 97 Cb 0.48 -2.00 0.15 0.00 1.02 0.00 0.00 30.24 29.88 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 5.35 1.22 -0.40 5.09 2.10 -1.53 -3.46 117.51 125.88 2gsb h ILE 98 Ca -0.44 -2.20 -0.67 0.00 1.08 0.00 0.00 64.86 62.64 2gsb h ILE 98 Cb 1.33 2.26 -0.12 0.00 -1.09 0.00 0.00 36.82 39.20 2gsb h ILE 98 CO 0.97 0.58 -0.48 -0.69 -1.08 0.00 0.00 178.15 177.45 2gsb s VAL 99 N -3.33 1.24 0.44 2.19 1.01 -1.23 -4.98 120.40 115.74 2gsb s VAL 99 Ca 0.00 -1.92 0.38 0.00 0.00 0.00 0.00 61.98 60.44 2gsb s VAL 99 Cb 0.11 -2.17 0.56 0.00 0.00 0.00 0.00 36.38 34.88 2gsb s VAL 99 CO 0.75 0.00 1.36 -1.84 0.00 0.00 0.00 175.10 175.36 2gsb n GLU 100 N -1.34 -0.01 -2.66 2.72 0.28 -1.26 -3.36 120.64 115.01 2gsb n GLU 100 Ca -0.17 1.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.80 2gsb n GLU 100 Cb 0.67 -2.17 0.07 0.00 1.43 0.00 0.00 31.44 31.44 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 -1.66 -1.08 3.01 -1.84 0.00 -1.26 -5.09 105.19 97.26 2gsb n GLY 101 Ca 0.37 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.82 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 0.05 0.26 0.42 1.61 1.51 -1.21 -5.06 117.35 114.93 2gsb s TYR 102 Ca 0.15 -0.54 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 2gsb s TYR 102 Cb 0.22 -0.19 -0.07 0.00 -0.11 0.00 0.00 41.96 41.82 2gsb s TYR 102 CO -0.13 -0.22 0.06 0.71 -1.11 0.00 0.00 175.55 174.86 2gsb s TYR 103 N -1.71 2.48 -0.48 2.71 2.02 -1.26 -1.62 117.35 119.49 2gsb s TYR 103 Ca -0.14 -0.67 -0.09 0.00 -0.37 0.00 0.00 57.07 55.80 2gsb s TYR 103 Cb -0.08 -1.82 0.12 0.00 -0.40 0.00 0.00 41.96 39.78 2gsb s TYR 103 CO -0.02 0.35 0.36 -0.51 -1.57 0.00 0.00 175.55 174.16 2gsb s LEU 104 N -3.78 5.73 -0.00 -1.29 1.43 -1.26 -4.85 118.68 114.65 2gsb s LEU 104 Ca 0.34 -1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 51.47 2gsb s LEU 104 Cb 0.08 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2gsb s LEU 104 CO 0.18 -0.69 0.64 0.11 0.23 0.00 0.00 176.35 176.82 2gsb h LYS 105 N 8.43 -0.12 -2.83 1.70 1.79 -1.96 -3.44 116.57 120.14 2gsb h LYS 105 Ca -0.21 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.15 2gsb h LYS 105 Cb 1.07 0.03 -0.23 0.00 -1.58 0.00 0.00 32.23 31.52 2gsb h LYS 105 CO 0.86 -0.08 -0.25 -1.21 -1.08 0.00 0.00 179.45 177.69 2gsb s GLU 106 N -2.48 0.52 1.00 3.15 2.02 -1.19 -5.09 118.70 116.63 2gsb s GLU 106 Ca -0.02 0.35 -0.12 0.00 0.02 0.00 0.00 54.97 55.20 2gsb s GLU 106 Cb 0.00 0.25 0.19 0.00 0.10 0.00 0.00 34.13 34.67 2gsb s GLU 106 CO 0.05 -0.09 1.09 -1.25 0.02 0.00 0.00 175.26 175.08 2gsb s PRO 107 N -0.20 0.41 0.03 0.39 0.04 -1.26 -3.97 135.00 130.43 2gsb s PRO 107 Ca -0.04 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.25 2gsb s PRO 107 Cb -0.03 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2gsb s PRO 107 CO 0.02 -2.75 0.86 0.08 0.04 0.00 0.00 177.00 175.25 2gsb s VAL 108 N -2.96 4.75 0.69 -0.36 1.01 -0.51 -4.80 120.40 118.22 2gsb s VAL 108 Ca 0.65 1.82 -0.14 0.00 0.00 0.00 0.00 61.98 64.32 2gsb s VAL 108 Cb -0.19 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.00 2gsb s VAL 108 CO 0.58 0.28 1.10 -2.16 0.00 0.00 0.00 175.10 174.90 2gsb s PRO 109 N 0.35 2.65 -0.01 2.72 0.04 -1.26 -4.24 135.00 135.25 2gsb s PRO 109 Ca 0.44 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 2gsb s PRO 109 Cb -0.21 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2gsb s PRO 109 CO 0.25 -1.36 0.06 0.00 0.04 0.00 0.00 177.00 175.99 2gsb s MET 110 N -4.32 3.01 -0.86 4.56 0.23 -1.26 -5.04 119.30 115.62 2gsb s MET 110 Ca 0.65 -0.49 -0.25 0.00 -1.03 0.00 0.00 55.69 54.57 2gsb s MET 110 Cb -0.20 -2.82 0.01 0.00 -1.53 0.00 0.00 34.83 30.29 2gsb s MET 110 CO 0.46 0.65 1.57 -0.65 -2.03 0.00 0.00 175.02 175.02 2gsb s GLN 111 N -1.60 3.12 -0.28 3.16 -1.52 -1.26 -4.96 119.66 116.32 2gsb s GLN 111 Ca 0.21 -0.45 -0.28 0.00 -1.95 0.00 0.00 55.36 52.89 2gsb s GLN 111 Cb -0.12 -4.84 0.01 0.00 -0.22 0.00 0.00 33.01 27.85 2gsb s GLN 111 CO 0.12 -2.52 1.03 0.16 -0.25 0.00 0.00 175.29 173.83 2gsb s ASP 112 N 5.77 6.97 -0.27 5.90 1.47 -1.26 -5.00 116.67 130.25 2gsb s ASP 112 Ca 0.51 1.15 -0.27 0.00 1.18 0.00 0.00 52.55 55.12 2gsb s ASP 112 Cb -0.05 -2.53 0.01 0.00 -0.34 0.00 0.00 42.92 40.00 2gsb s ASP 112 CO 0.03 -0.77 0.94 -1.58 0.68 0.00 0.00 175.17 174.47 2gsb s GLN 113 N 3.41 4.14 -0.95 2.11 0.74 -1.26 -4.97 119.66 122.88 2gsb s GLN 113 Ca 0.44 1.04 -0.01 0.00 0.05 0.00 0.00 55.36 56.87 2gsb s GLN 113 Cb -0.13 -3.68 0.28 0.00 1.10 0.00 0.00 33.01 30.58 2gsb s GLN 113 CO 0.11 -0.67 1.21 -1.13 -0.55 0.00 0.00 175.29 174.27 2gsb n SER 114 N 6.33 5.49 0.00 6.67 3.41 -1.26 -4.96 113.62 129.30 2gsb n SER 114 Ca 0.09 -3.39 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 2gsb n SER 114 Cb 0.47 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2gsb n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gsb n GLY 115 N 1.32 3.02 0.22 5.00 0.00 -1.26 -4.76 105.19 108.74 2gsb n GLY 115 Ca 0.27 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 0.76 0.25 1.61 0.13 -1.99 -3.31 132.00 129.44 2gsb h PRO 116 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2gsb h PRO 116 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 2gsb h PRO 116 CO 0.00 1.02 -0.51 1.03 -0.23 0.00 0.00 178.00 179.31 2gsb h SER 117 N 0.52 -1.50 -3.55 1.44 0.87 -2.03 -3.37 113.55 105.93 2gsb h SER 117 Ca 0.05 0.15 -0.59 0.00 -1.23 0.00 0.00 61.79 60.17 2gsb h SER 117 Cb 0.89 0.53 -0.09 0.00 -0.44 0.00 0.00 62.40 63.29 2gsb h SER 117 CO 0.08 -0.59 0.65 -0.44 -0.53 0.00 0.00 176.83 176.00 2gsb s SER 118 N -4.50 6.64 0.00 6.23 0.01 -1.25 -5.19 113.70 115.65 2gsb s SER 118 Ca -0.16 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2gsb s SER 118 Cb 0.05 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2gsb s SER 118 CO 0.59 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.89