#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 6.54 -0.70 1.61 1.04 -1.26 -4.98 113.70 115.95 2gsb s SER 2 Ca 0.00 -2.17 -0.03 0.00 0.48 0.00 0.00 55.95 54.23 2gsb s SER 2 Cb 0.00 -2.27 0.18 0.00 0.10 0.00 0.00 66.02 64.03 2gsb s SER 2 CO 0.00 -0.83 0.54 -0.55 0.98 0.00 0.00 173.24 173.37 2gsb s SER 3 N 2.97 5.45 0.23 7.02 0.15 -1.26 -4.96 113.70 123.31 2gsb s SER 3 Ca 0.18 -3.09 0.00 0.00 0.70 0.00 0.00 55.95 53.73 2gsb s SER 3 Cb -0.14 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2gsb s SER 3 CO -0.04 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2gsb n GLY 4 N 3.17 -5.29 3.77 9.45 0.00 -1.26 -4.91 105.19 110.13 2gsb n GLY 4 Ca 0.12 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.74 6.43 0.23 1.61 0.15 -1.26 -5.05 113.70 115.07 2gsb s SER 5 Ca 0.00 2.22 0.00 0.00 0.70 0.00 0.00 55.95 58.88 2gsb s SER 5 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2gsb s SER 5 CO 0.00 -0.73 0.12 -0.94 1.20 0.00 0.00 173.24 172.89 2gsb s SER 6 N -1.39 0.70 0.00 5.45 1.04 -1.26 -5.10 113.70 113.14 2gsb s SER 6 Ca 0.60 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2gsb s SER 6 Cb -0.27 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2gsb s SER 6 CO 0.33 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2gsb n GLY 7 N -0.38 -1.10 3.10 7.32 0.00 -1.26 -5.08 105.19 107.79 2gsb n GLY 7 Ca 0.01 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.32 2.21 -0.14 1.61 1.70 -1.26 -5.11 118.95 114.63 2gsb s ARG 8 Ca 0.00 -0.59 -0.04 0.00 -0.47 0.00 0.00 55.73 54.63 2gsb s ARG 8 Cb 0.00 -1.74 0.06 0.00 -0.57 0.00 0.00 34.95 32.70 2gsb s ARG 8 CO 0.00 0.09 0.17 -1.21 -1.08 0.00 0.00 175.30 173.27 2gsb s GLU 9 N 0.53 0.09 -0.39 3.89 0.41 -1.26 -5.01 118.70 116.96 2gsb s GLU 9 Ca -0.16 0.31 0.06 0.00 -0.41 0.00 0.00 54.97 54.77 2gsb s GLU 9 Cb -0.17 -0.90 0.58 0.00 -1.78 0.00 0.00 34.13 31.86 2gsb s GLU 9 CO 0.06 -0.50 1.70 0.39 -0.49 0.00 0.00 175.26 176.42 2gsb n GLU 10 N 5.31 2.12 -3.61 1.61 1.02 -1.26 -4.99 120.64 120.84 2gsb n GLU 10 Ca -0.05 -3.15 -0.32 0.00 -0.02 0.00 0.00 57.16 53.62 2gsb n GLU 10 Cb 0.50 -2.02 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 2gsb n GLU 10 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2gsb s ASP 11 N -1.98 6.53 0.11 1.62 1.01 -1.26 -5.02 116.67 117.68 2gsb s ASP 11 Ca 0.52 0.68 -0.14 0.00 0.71 0.00 0.00 52.55 54.31 2gsb s ASP 11 Cb 0.45 -2.13 -0.08 0.00 1.01 0.00 0.00 42.92 42.17 2gsb s ASP 11 CO 0.05 0.02 1.43 1.55 0.21 0.00 0.00 175.17 178.43 2gsb h PRO 12 N 2.78 0.75 -0.97 8.23 0.13 -1.94 -3.18 132.00 137.81 2gsb h PRO 12 Ca -0.46 -0.40 0.28 0.00 -0.87 0.00 0.00 66.00 64.55 2gsb h PRO 12 Cb 1.17 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2gsb h PRO 12 CO 0.72 1.02 0.49 1.25 -0.23 0.00 0.00 178.00 181.24 2gsb h HIS 13 N 0.51 0.80 -0.14 1.56 2.76 -1.99 1.25 115.15 119.90 2gsb h HIS 13 Ca 0.05 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 2gsb h HIS 13 Cb 0.89 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 2gsb h HIS 13 CO 0.07 -0.13 0.06 0.39 -1.30 0.00 0.00 177.93 177.02 2gsb n GLU 14 N -5.06 1.41 -2.22 5.26 4.71 -1.20 -3.72 120.64 119.83 2gsb n GLU 14 Ca 0.28 -0.51 -0.02 0.00 -0.01 0.00 0.00 57.16 56.90 2gsb n GLU 14 Cb 0.85 -1.39 0.07 0.00 -1.01 0.00 0.00 31.44 29.96 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gsb n GLY 15 N 0.17 0.66 3.92 0.62 0.00 0.42 -5.00 105.19 105.99 2gsb n GLY 15 Ca 0.08 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 0.08 3.18 0.44 1.61 -0.14 -0.85 -4.95 119.74 119.11 2gsb s LYS 16 Ca 0.06 -0.05 0.15 0.00 -1.36 0.00 0.00 55.97 54.76 2gsb s LYS 16 Cb 0.25 -2.38 0.98 0.00 -1.68 0.00 0.00 37.83 35.00 2gsb s LYS 16 CO -0.07 -0.41 1.97 0.97 -0.76 0.00 0.00 175.35 177.05 2gsb h ILE 17 N 0.12 1.12 0.00 2.17 2.10 -1.92 -2.31 117.51 118.79 2gsb h ILE 17 Ca -0.46 -0.74 -0.09 0.00 1.08 0.00 0.00 64.86 64.65 2gsb h ILE 17 Cb 1.24 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 38.35 2gsb h ILE 17 CO 0.60 0.21 -1.02 4.11 -1.08 0.00 0.00 178.15 180.97 2gsb h TRP 18 N 0.00 0.00 -3.49 2.19 5.08 -1.90 -3.40 115.95 114.43 2gsb h TRP 18 Ca -0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 2gsb h TRP 18 Cb 0.38 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.52 2gsb h TRP 18 CO 0.00 0.32 0.26 0.12 -1.28 0.00 0.00 178.44 177.86 2gsb s PHE 19 N -3.10 3.77 -0.23 0.12 5.36 -0.87 -1.41 117.98 121.62 2gsb s PHE 19 Ca -0.00 1.63 -0.04 0.00 -0.96 0.00 0.00 56.93 57.56 2gsb s PHE 19 Cb 0.08 -2.94 0.08 0.00 -0.34 0.00 0.00 43.02 39.91 2gsb s PHE 19 CO 0.78 0.23 0.13 -1.01 -1.46 0.00 0.00 175.22 173.89 2gsb s HIS 20 N 0.01 0.16 -0.00 10.12 3.76 0.25 -4.48 115.29 125.11 2gsb s HIS 20 Ca 0.43 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 2gsb s HIS 20 Cb -0.22 -0.73 -0.00 0.00 1.11 0.00 0.00 32.58 32.74 2gsb s HIS 20 CO 0.26 -0.67 0.01 0.41 -0.85 0.00 0.00 174.74 173.90 2gsb n GLY 21 N 5.27 0.26 0.12 -2.22 0.00 -1.26 -4.20 105.19 103.15 2gsb n GLY 21 Ca -0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 0.28 0.00 1.61 1.57 -1.98 -3.46 116.57 114.58 2gsb h LYS 22 Ca 0.00 -0.27 -0.27 0.00 -1.87 0.00 0.00 60.65 58.25 2gsb h LYS 22 Cb 0.01 0.07 0.16 0.00 0.08 0.00 0.00 32.23 32.55 2gsb h LYS 22 CO 0.00 0.95 -0.13 0.44 -0.57 0.00 0.00 179.45 180.14 2gsb n ILE 23 N -4.42 0.00 -4.70 1.86 -5.35 -1.26 -5.06 119.36 100.43 2gsb n ILE 23 Ca -0.09 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.07 2gsb n ILE 23 Cb 0.54 -0.72 -0.08 0.00 -1.74 0.00 0.00 39.64 37.64 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 -2.74 4.07 0.05 7.28 0.01 -1.26 -4.99 113.70 116.12 2gsb s SER 24 Ca 0.49 -1.56 -0.29 0.00 1.31 0.00 0.00 55.95 55.90 2gsb s SER 24 Cb -0.09 0.25 -0.17 0.00 0.21 0.00 0.00 66.02 66.22 2gsb s SER 24 CO 0.41 -0.74 1.48 0.50 0.41 0.00 0.00 173.24 175.30 2gsb h LYS 25 N 1.46 -0.64 -0.74 12.44 3.64 -1.99 0.61 116.57 131.36 2gsb h LYS 25 Ca -0.44 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.16 2gsb h LYS 25 Cb 1.29 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 2gsb h LYS 25 CO 0.76 -0.37 0.51 1.96 -2.27 0.00 0.00 179.45 180.04 2gsb h GLN 26 N -0.79 0.21 0.22 1.90 4.20 -2.01 -2.49 115.11 116.34 2gsb h GLN 26 Ca -0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2gsb h GLN 26 Cb 0.56 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2gsb h GLN 26 CO 0.11 0.14 -0.10 0.93 -0.67 0.00 0.00 178.83 179.24 2gsb h GLU 27 N 0.22 -0.28 -1.61 1.46 4.39 -1.89 -3.21 114.58 113.65 2gsb h GLU 27 Ca 0.36 0.02 0.51 0.00 0.34 0.00 0.00 59.36 60.60 2gsb h GLU 27 Cb 1.11 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.71 2gsb h GLU 27 CO -0.07 -0.08 1.09 0.00 -1.16 0.00 0.00 179.01 178.79 2gsb h ALA 28 N -0.90 3.24 0.44 3.43 0.00 -0.45 0.38 119.26 125.39 2gsb h ALA 28 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2gsb h ALA 28 Cb 0.33 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gsb h ALA 28 CO 0.05 -1.88 -0.21 1.88 0.00 0.00 0.00 179.25 179.09 2gsb h TYR 29 N 0.01 -0.55 -0.53 0.00 0.05 -1.53 -2.51 116.97 111.92 2gsb h TYR 29 Ca 0.90 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.65 2gsb h TYR 29 Cb 3.20 0.18 -0.03 0.00 1.01 0.00 0.00 36.73 41.09 2gsb h TYR 29 CO -0.00 -0.22 0.24 -0.97 -1.05 0.00 0.00 178.16 176.15 2gsb h ASN 30 N -0.96 0.67 0.53 3.88 -1.24 -0.41 -2.43 115.58 115.62 2gsb h ASN 30 Ca -0.06 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.86 2gsb h ASN 30 Cb 0.57 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2gsb h ASN 30 CO 0.10 0.59 -0.36 -0.07 -1.29 0.00 0.00 177.43 176.40 2gsb h LEU 31 N 0.74 -0.93 -2.23 0.34 3.38 -0.66 0.27 115.31 116.23 2gsb h LEU 31 Ca 0.18 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2gsb h LEU 31 Cb 0.11 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2gsb h LEU 31 CO -0.02 -0.53 0.09 -0.07 0.09 0.00 0.00 178.44 178.00 2gsb h LEU 32 N -0.84 0.00 0.00 1.67 3.38 -1.39 0.44 115.31 118.57 2gsb h LEU 32 Ca -0.07 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 2gsb h LEU 32 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2gsb h LEU 32 CO 0.05 0.00 -1.30 0.24 0.09 0.00 0.00 178.44 177.52 2gsb h MET 33 N 0.00 0.00 0.00 1.13 2.86 -0.81 -3.31 114.93 114.80 2gsb h MET 33 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2gsb h MET 33 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2gsb h MET 33 CO 0.00 0.53 0.00 0.25 1.06 0.00 0.00 176.91 178.75 2gsb n THR 34 N -3.08 0.00 0.28 2.22 -2.24 0.88 -4.73 114.28 107.61 2gsb n THR 34 Ca -0.08 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 2gsb n THR 34 Cb 0.92 -0.98 0.81 0.00 -2.10 0.00 0.00 70.33 68.98 2gsb n THR 34 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2gsb h VAL 35 N 0.00 0.70 -3.03 2.28 -1.51 -0.49 -3.41 116.25 110.79 2gsb h VAL 35 Ca 0.00 -0.03 -0.67 0.00 -1.23 0.00 0.00 66.70 64.77 2gsb h VAL 35 Cb 0.00 1.02 -0.12 0.00 -2.13 0.00 0.00 31.29 30.06 2gsb h VAL 35 CO 0.00 0.01 -0.56 -0.83 -1.23 0.00 0.00 177.57 174.96 2gsb s GLY 36 N -4.10 1.99 0.47 5.19 0.00 0.64 -4.72 107.32 106.78 2gsb s GLY 36 Ca -0.05 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.00 2gsb s GLY 36 CO 0.59 -0.43 0.64 -1.06 0.00 0.00 0.00 173.10 172.85 2gsb n GLN 37 N 2.20 0.59 0.00 2.90 6.02 -1.26 -3.96 117.38 123.88 2gsb n GLN 37 Ca -0.19 -2.36 0.02 0.00 -0.01 0.00 0.00 57.00 54.46 2gsb n GLN 37 Cb 0.54 -0.24 0.10 0.00 1.02 0.00 0.00 30.24 31.66 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 -2.06 1.29 -1.89 5.09 0.31 -1.26 -1.38 118.33 118.42 2gsb n VAL 38 Ca 0.13 0.32 -0.03 0.00 -0.01 0.00 0.00 64.34 64.75 2gsb n VAL 38 Cb 0.46 -1.25 0.13 0.00 -0.91 0.00 0.00 33.84 32.27 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 -3.23 1.84 0.24 0.00 0.15 -0.48 -2.36 113.70 109.86 2gsb s SER 40 Ca 0.41 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.69 2gsb s SER 40 Cb 0.38 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.52 2gsb s SER 40 CO -0.05 0.10 0.20 2.22 1.20 0.00 0.00 173.24 176.91 2gsb n PHE 41 N 2.11 -0.57 -3.54 3.44 -1.74 -1.25 -3.18 117.46 112.74 2gsb n PHE 41 Ca -0.17 -2.04 -0.07 0.00 -0.56 0.00 0.00 57.45 54.61 2gsb n PHE 41 Cb 0.54 0.21 -0.02 0.00 1.52 0.00 0.00 39.48 41.73 2gsb n PHE 41 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2gsb s LEU 42 N 0.00 -0.29 -0.06 5.98 0.05 -1.07 -0.70 118.68 122.59 2gsb s LEU 42 Ca 0.29 0.03 0.03 0.00 0.05 0.00 0.00 54.13 54.53 2gsb s LEU 42 Cb 0.01 1.79 -0.02 0.00 -2.05 0.00 0.00 46.19 45.92 2gsb s LEU 42 CO 0.20 -0.47 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.70 2gsb s VAL 43 N -2.73 2.98 0.07 1.48 1.01 -0.50 -2.21 120.40 120.50 2gsb s VAL 43 Ca 0.06 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2gsb s VAL 43 Cb -0.01 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 2gsb s VAL 43 CO -0.07 0.58 -0.12 -0.13 0.00 0.00 0.00 175.10 175.36 2gsb s ARG 44 N -0.48 0.76 0.12 2.72 0.52 -0.19 -0.58 118.95 121.81 2gsb s ARG 44 Ca 0.06 -0.95 -0.31 0.00 -0.52 0.00 0.00 55.73 54.01 2gsb s ARG 44 Cb -0.12 -0.64 -0.08 0.00 0.52 0.00 0.00 34.95 34.63 2gsb s ARG 44 CO 0.02 0.13 1.36 -1.25 0.02 0.00 0.00 175.30 175.57 2gsb s PRO 45 N -1.91 4.34 -0.26 3.54 0.04 -1.26 -0.47 135.00 139.02 2gsb s PRO 45 Ca -0.02 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 2gsb s PRO 45 Cb -0.09 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2gsb s PRO 45 CO 0.01 -0.39 2.13 -1.12 0.04 0.00 0.00 177.00 177.68 2gsb s SER 46 N 0.97 5.49 0.00 6.66 0.01 0.42 -4.82 113.70 122.44 2gsb s SER 46 Ca 0.63 1.69 -0.08 0.00 1.31 0.00 0.00 55.95 59.50 2gsb s SER 46 Cb -0.36 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.31 2gsb s SER 46 CO 0.31 -1.96 0.85 -0.78 0.41 0.00 0.00 173.24 172.07 2gsb h ASP 47 N 14.81 -0.24 -0.72 2.44 1.82 -1.91 -3.30 116.42 129.32 2gsb h ASP 47 Ca -0.38 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.38 2gsb h ASP 47 Cb 1.22 0.06 -0.12 0.00 0.68 0.00 0.00 39.33 41.17 2gsb h ASP 47 CO 0.99 -0.13 -0.40 -0.55 -1.61 0.00 0.00 179.24 177.54 2gsb h ASN 48 N -0.36 -1.40 -3.47 2.28 -1.07 -2.00 -3.36 115.58 106.20 2gsb h ASN 48 Ca -0.03 0.26 -0.65 0.00 0.07 0.00 0.00 56.30 55.95 2gsb h ASN 48 Cb 0.22 0.68 -0.24 0.00 -2.07 0.00 0.00 38.32 36.91 2gsb h ASN 48 CO 0.05 -0.31 -0.67 -0.89 0.07 0.00 0.00 177.43 175.68 2gsb s THR 49 N -5.90 3.86 0.33 6.14 2.01 -1.24 -5.09 115.64 115.74 2gsb s THR 49 Ca -0.14 -0.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 2gsb s THR 49 Cb 0.16 -2.76 -0.10 0.00 0.01 0.00 0.00 72.50 69.81 2gsb s THR 49 CO 0.68 0.41 1.22 -2.16 -0.69 0.00 0.00 174.62 174.08 2gsb s PRO 50 N 1.24 4.39 0.00 4.92 0.04 -1.25 -3.49 135.00 140.84 2gsb s PRO 50 Ca 0.03 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2gsb s PRO 50 Cb -0.15 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2gsb s PRO 50 CO 0.01 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.37 2gsb n GLY 51 N 0.89 2.53 3.44 0.56 0.00 -1.26 -5.02 105.19 106.34 2gsb n GLY 51 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 0.38 0.28 1.61 1.11 -1.23 -4.79 116.67 114.03 2gsb s ASP 52 Ca 0.00 1.30 0.03 0.00 0.18 0.00 0.00 52.55 54.06 2gsb s ASP 52 Cb 0.00 -1.99 -0.04 0.00 1.07 0.00 0.00 42.92 41.97 2gsb s ASP 52 CO 0.00 -4.54 0.19 -0.31 1.18 0.00 0.00 175.17 171.69 2gsb s TYR 53 N -2.43 1.53 -0.07 4.23 1.51 -0.99 -0.44 117.35 120.70 2gsb s TYR 53 Ca 0.69 -1.47 -0.08 0.00 -1.01 0.00 0.00 57.07 55.20 2gsb s TYR 53 Cb -0.22 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 2gsb s TYR 53 CO 0.63 -0.67 0.21 -1.12 -1.11 0.00 0.00 175.55 173.50 2gsb s SER 54 N -3.32 -0.20 0.07 2.29 0.01 0.38 -2.37 113.70 110.56 2gsb s SER 54 Ca 0.38 0.37 0.05 0.00 1.31 0.00 0.00 55.95 58.06 2gsb s SER 54 Cb 0.05 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 2gsb s SER 54 CO 0.19 -0.11 -0.05 -0.22 0.41 0.00 0.00 173.24 173.46 2gsb s LEU 55 N -0.06 3.25 -0.06 2.44 2.96 -1.23 -1.02 118.68 124.95 2gsb s LEU 55 Ca -0.02 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2gsb s LEU 55 Cb -0.02 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.72 2gsb s LEU 55 CO 0.01 0.20 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.91 2gsb s TYR 56 N -1.20 0.70 0.03 5.38 2.02 -0.94 -2.25 117.35 121.09 2gsb s TYR 56 Ca 0.22 -0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.79 2gsb s TYR 56 Cb -0.11 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 2gsb s TYR 56 CO 0.14 -0.28 -0.18 0.12 -1.57 0.00 0.00 175.55 173.78 2gsb s PHE 57 N 1.57 1.58 -0.17 2.71 5.36 -1.25 -2.60 117.98 125.17 2gsb s PHE 57 Ca -0.01 -0.34 -0.16 0.00 -0.96 0.00 0.00 56.93 55.45 2gsb s PHE 57 Cb -0.13 -0.96 -0.04 0.00 -0.34 0.00 0.00 43.02 41.55 2gsb s PHE 57 CO -0.03 0.04 0.41 0.50 -1.46 0.00 0.00 175.22 174.68 2gsb s ARG 58 N -0.93 4.25 0.11 10.12 6.06 -1.19 -1.42 118.95 135.94 2gsb s ARG 58 Ca 0.06 0.27 0.08 0.00 -2.50 0.00 0.00 55.73 53.64 2gsb s ARG 58 Cb -0.08 -3.48 -0.04 0.00 0.06 0.00 0.00 34.95 31.41 2gsb s ARG 58 CO 0.01 0.07 -0.19 0.95 -2.50 0.00 0.00 175.30 173.64 2gsb s THR 59 N 0.94 1.63 0.52 4.11 -4.23 -1.26 -4.27 115.64 113.08 2gsb s THR 59 Ca 0.21 -1.59 0.35 0.00 -1.18 0.00 0.00 61.69 59.49 2gsb s THR 59 Cb -0.14 -1.54 0.55 0.00 1.34 0.00 0.00 72.50 72.70 2gsb s THR 59 CO 0.08 -0.14 1.76 0.78 -0.54 0.00 0.00 174.62 176.56 2gsb h ASN 60 N 3.93 0.08 0.00 3.99 4.21 -1.98 -2.84 115.58 122.97 2gsb h ASN 60 Ca -0.44 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.09 2gsb h ASN 60 Cb 1.19 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2gsb h ASN 60 CO 0.42 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.94 2gsb n GLU 61 N -4.24 0.00 -3.61 0.81 1.02 -1.26 -5.04 120.64 108.32 2gsb n GLU 61 Ca 0.28 0.35 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2gsb n GLU 61 Cb 1.30 -0.85 -0.07 0.00 -0.02 0.00 0.00 31.44 31.80 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 -2.42 -0.59 -0.04 1.62 2.20 -1.07 -5.13 114.94 109.51 2gsb s ASN 62 Ca 0.00 1.03 -0.38 0.00 -0.94 0.00 0.00 52.86 52.57 2gsb s ASN 62 Cb 0.00 1.01 -0.17 0.00 -2.00 0.00 0.00 41.25 40.09 2gsb s ASN 62 CO 0.00 -0.28 1.46 -0.38 -2.94 0.00 0.00 177.10 174.96 2gsb n ILE 63 N 2.06 0.10 -2.34 0.54 5.41 -1.26 -4.26 119.36 119.60 2gsb n ILE 63 Ca -0.14 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.43 2gsb n ILE 63 Cb 0.56 -0.90 0.09 0.00 -0.71 0.00 0.00 39.64 38.68 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 3.38 -0.05 -3.51 0.38 6.02 -0.51 -4.97 117.38 118.13 2gsb n GLN 64 Ca 0.21 -1.77 -0.02 0.00 -0.01 0.00 0.00 57.00 55.41 2gsb n GLN 64 Cb 0.16 -0.53 -0.05 0.00 1.02 0.00 0.00 30.24 30.84 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 -4.36 0.49 0.49 -1.09 3.52 -1.26 -3.96 118.95 112.79 2gsb s ARG 65 Ca 0.46 1.16 0.08 0.00 -0.13 0.00 0.00 55.73 57.30 2gsb s ARG 65 Cb -0.02 0.54 0.03 0.00 -1.56 0.00 0.00 34.95 33.94 2gsb s ARG 65 CO 0.31 -0.35 0.57 -0.06 -0.81 0.00 0.00 175.30 174.96 2gsb s PHE 66 N 2.79 2.14 -0.07 5.12 0.08 -0.96 -4.99 117.98 122.09 2gsb s PHE 66 Ca 0.03 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.48 2gsb s PHE 66 Cb -0.13 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 2gsb s PHE 66 CO -0.18 -0.60 -0.05 -1.59 -0.10 0.00 0.00 175.22 172.71 2gsb s LYS 67 N -4.39 1.01 -0.33 0.44 -2.85 -1.26 -3.56 119.74 108.80 2gsb s LYS 67 Ca 0.52 -0.12 -0.04 0.00 -1.00 0.00 0.00 55.97 55.34 2gsb s LYS 67 Cb -0.06 -1.07 0.05 0.00 -2.06 0.00 0.00 37.83 34.69 2gsb s LYS 67 CO 0.32 -0.15 0.06 0.42 0.10 0.00 0.00 175.35 176.09 2gsb s ILE 68 N 1.28 3.32 -0.04 3.79 1.01 -1.00 -4.13 121.20 125.42 2gsb s ILE 68 Ca -0.05 -1.35 -0.08 0.00 0.00 0.00 0.00 60.65 59.17 2gsb s ILE 68 Cb -0.14 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2gsb s ILE 68 CO -0.02 -0.19 0.23 0.00 0.00 0.00 0.00 174.94 174.96 2gsb s PRO 70 N -1.39 2.62 0.09 0.00 0.04 -1.26 -1.46 135.00 133.65 2gsb s PRO 70 Ca 0.22 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.64 2gsb s PRO 70 Cb -0.13 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2gsb s PRO 70 CO 0.11 -1.38 -0.16 0.95 0.04 0.00 0.00 177.00 176.57 2gsb s THR 71 N -2.52 1.31 -1.22 1.26 -4.23 -0.99 -4.82 115.64 104.44 2gsb s THR 71 Ca 0.65 -1.49 0.14 0.00 -1.18 0.00 0.00 61.69 59.82 2gsb s THR 71 Cb -0.19 -1.32 0.19 0.00 1.34 0.00 0.00 72.50 72.51 2gsb s THR 71 CO 0.46 -0.25 1.43 -0.81 -0.54 0.00 0.00 174.62 174.91 2gsb n PRO 72 N 0.99 0.11 -1.68 3.99 -0.04 -1.26 -3.14 135.00 133.97 2gsb n PRO 72 Ca -0.19 0.20 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 2gsb n PRO 72 Cb 0.55 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.39 7.29 -4.05 3.54 4.13 -1.26 -4.89 115.26 118.63 2gsb n ASN 73 Ca 0.05 -3.80 -0.26 0.00 1.68 0.00 0.00 54.58 52.24 2gsb n ASN 73 Cb 0.14 -0.94 -0.09 0.00 -1.54 0.00 0.00 39.78 37.35 2gsb n ASN 73 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2gsb n ASN 74 N -0.73 0.81 -3.10 6.41 0.23 -1.19 -4.89 115.26 112.81 2gsb n ASN 74 Ca 0.57 -1.09 -0.18 0.00 -0.53 0.00 0.00 54.58 53.35 2gsb n ASN 74 Cb 0.51 -1.35 -0.06 0.00 -2.08 0.00 0.00 39.78 36.79 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gsb n GLN 75 N -4.06 0.47 -4.50 -3.83 6.02 -1.25 -4.82 117.38 105.42 2gsb n GLN 75 Ca -0.28 -3.09 -0.23 0.00 -0.01 0.00 0.00 57.00 53.40 2gsb n GLN 75 Cb 0.60 2.64 -0.16 0.00 1.02 0.00 0.00 30.24 34.34 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 -3.21 1.22 -0.16 1.08 0.08 -0.57 -2.34 117.98 114.07 2gsb s PHE 76 Ca 0.36 -0.38 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 2gsb s PHE 76 Cb 0.01 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 2gsb s PHE 76 CO 0.25 -0.19 0.35 -1.64 -0.10 0.00 0.00 175.22 173.89 2gsb s MET 77 N 0.45 4.25 -0.35 0.44 -1.94 -0.53 -1.48 119.30 120.14 2gsb s MET 77 Ca -0.09 0.17 0.02 0.00 -1.71 0.00 0.00 55.69 54.08 2gsb s MET 77 Cb -0.13 -3.46 0.11 0.00 2.01 0.00 0.00 34.83 33.36 2gsb s MET 77 CO 0.02 0.16 0.11 1.41 -0.01 0.00 0.00 175.02 176.71 2gsb s MET 78 N 0.70 1.13 0.00 2.03 1.75 -1.15 -2.59 119.30 121.18 2gsb s MET 78 Ca 0.18 -1.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.05 2gsb s MET 78 Cb -0.14 -2.54 0.00 0.00 2.84 0.00 0.00 34.83 34.99 2gsb s MET 78 CO 0.06 -1.00 0.00 0.41 -0.65 0.00 0.00 175.02 173.84 2gsb n GLY 79 N 4.35 2.06 0.46 2.11 0.00 -1.26 -3.85 105.19 109.06 2gsb n GLY 79 Ca 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 0.14 3.36 -0.02 0.00 -1.26 -5.13 105.19 102.28 2gsb n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2gsb n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gsb s ARG 81 N 0.00 1.78 0.04 1.61 3.03 -1.25 -5.17 118.95 118.99 2gsb s ARG 81 Ca 0.00 -2.05 0.05 0.00 2.03 0.00 0.00 55.73 55.76 2gsb s ARG 81 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 34.95 33.89 2gsb s ARG 81 CO 0.00 -0.57 -0.08 0.71 -1.13 0.00 0.00 175.30 174.23 2gsb s TYR 82 N -3.42 2.84 -0.01 5.89 2.02 -1.26 -2.93 117.35 120.48 2gsb s TYR 82 Ca 0.35 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 2gsb s TYR 82 Cb 0.03 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2gsb s TYR 82 CO 0.22 0.39 -0.03 0.71 -1.57 0.00 0.00 175.55 175.27 2gsb s TYR 83 N -1.08 0.27 0.27 2.71 2.02 -0.55 -4.98 117.35 116.02 2gsb s TYR 83 Ca 0.19 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2gsb s TYR 83 Cb -0.11 -0.20 0.59 0.00 -0.40 0.00 0.00 41.96 41.84 2gsb s TYR 83 CO 0.10 -0.02 1.73 -0.97 -1.57 0.00 0.00 175.55 174.82 2gsb h ASN 84 N 6.21 0.40 -5.48 2.29 -0.73 -1.90 -1.52 115.58 114.85 2gsb h ASN 84 Ca -0.28 0.12 0.31 0.00 1.87 0.00 0.00 56.30 58.31 2gsb h ASN 84 Cb 1.19 0.07 -0.13 0.00 0.27 0.00 0.00 38.32 39.72 2gsb h ASN 84 CO 0.50 0.11 0.81 -0.44 -0.37 0.00 0.00 177.43 178.04 2gsb s SER 85 N -5.32 -0.08 0.06 1.15 0.01 -1.26 -4.51 113.70 103.75 2gsb s SER 85 Ca -0.12 -0.12 -0.23 0.00 1.31 0.00 0.00 55.95 56.79 2gsb s SER 85 Cb 0.23 0.18 -0.10 0.00 0.21 0.00 0.00 66.02 66.53 2gsb s SER 85 CO 0.78 -0.32 1.36 0.40 0.41 0.00 0.00 173.24 175.86 2gsb h ILE 86 N 2.00 0.00 -1.32 1.44 2.04 -1.95 -1.54 117.51 118.18 2gsb h ILE 86 Ca -0.26 0.00 0.47 0.00 1.00 0.00 0.00 64.86 66.06 2gsb h ILE 86 Cb 1.20 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.14 2gsb h ILE 86 CO 0.27 0.00 0.83 0.61 0.00 0.00 0.00 178.15 179.87 2gsb n GLY 87 N -1.33 -0.82 0.15 5.37 0.00 -1.26 0.11 105.19 107.42 2gsb n GLY 87 Ca -0.06 0.75 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 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 0.47 -1.28 1.61 3.32 -1.71 -3.07 116.42 115.75 2gsb h ASP 88 Ca 0.87 -0.49 0.38 0.00 0.02 0.00 0.00 57.03 57.81 2gsb h ASP 88 Cb 2.73 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 42.06 2gsb h ASP 88 CO -0.49 0.86 0.87 0.40 -1.72 0.00 0.00 179.24 179.15 2gsb h ILE 89 N 0.08 0.30 0.08 0.35 2.04 0.15 0.32 117.51 120.83 2gsb h ILE 89 Ca 0.03 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2gsb h ILE 89 Cb 0.73 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2gsb h ILE 89 CO 0.05 0.03 -0.04 0.40 0.00 0.00 0.00 178.15 178.58 2gsb h ILE 90 N 0.14 1.17 0.00 -0.67 5.03 -1.43 -1.16 117.51 120.60 2gsb h ILE 90 Ca 0.70 -0.99 -0.03 0.00 -0.12 0.00 0.00 64.86 64.43 2gsb h ILE 90 Cb 2.32 1.80 -0.00 0.00 -3.03 0.00 0.00 36.82 37.91 2gsb h ILE 90 CO -0.23 0.24 -0.14 -0.78 -0.68 0.00 0.00 178.15 176.56 2gsb h ASP 91 N -0.56 0.00 0.62 1.72 3.58 -0.76 -0.94 116.42 120.07 2gsb h ASP 91 Ca -0.01 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.18 2gsb h ASP 91 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2gsb h ASP 91 CO 0.02 0.14 -1.16 -0.74 -2.88 0.00 0.00 179.24 174.61 2gsb h HIS 92 N 0.00 0.46 0.04 0.28 2.76 -0.44 -3.30 115.15 114.95 2gsb h HIS 92 Ca -0.00 -0.32 -0.22 0.00 -2.20 0.00 0.00 60.37 57.63 2gsb h HIS 92 Cb 0.44 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 2gsb h HIS 92 CO 0.00 1.23 -1.04 1.88 -1.30 0.00 0.00 177.93 178.70 2gsb h TYR 93 N 0.09 0.17 -1.05 5.26 0.05 -0.80 -2.83 116.97 117.87 2gsb h TYR 93 Ca -0.11 -0.12 0.30 0.00 0.05 0.00 0.00 58.73 58.84 2gsb h TYR 93 Cb 1.88 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 39.56 2gsb h TYR 93 CO 0.06 1.06 0.74 0.00 -1.05 0.00 0.00 178.16 178.97 2gsb h ARG 94 N 0.03 0.06 0.00 4.88 3.08 -1.26 0.35 114.38 121.53 2gsb h ARG 94 Ca -0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2gsb h ARG 94 Cb 1.77 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.80 2gsb h ARG 94 CO 0.15 0.04 -0.93 0.36 -1.07 0.00 0.00 179.97 178.52 2gsb n LYS 95 N -4.28 1.63 -4.08 0.04 -0.00 -1.23 -4.86 118.16 105.38 2gsb n LYS 95 Ca 0.23 -0.03 -0.28 0.00 -0.00 0.00 0.00 58.31 58.22 2gsb n LYS 95 Cb 1.07 -1.26 -0.17 0.00 -0.00 0.00 0.00 35.03 34.68 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2gsb s GLU 96 N -2.58 2.01 -0.13 -1.58 0.41 0.12 -5.09 118.70 111.86 2gsb s GLU 96 Ca 0.03 -0.45 -0.31 0.00 -0.41 0.00 0.00 54.97 53.83 2gsb s GLU 96 Cb 0.11 -1.87 -0.08 0.00 -1.78 0.00 0.00 34.13 30.51 2gsb s GLU 96 CO 0.64 -0.21 2.08 0.00 -0.49 0.00 0.00 175.26 177.28 2gsb n GLN 97 N 4.69 2.20 0.16 1.61 10.64 -1.25 -4.33 117.38 131.10 2gsb n GLN 97 Ca -0.16 0.72 0.13 0.00 -1.83 0.00 0.00 57.00 55.86 2gsb n GLN 97 Cb 0.50 -2.97 0.56 0.00 -0.86 0.00 0.00 30.24 27.47 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 6.34 0.00 -2.76 -0.39 2.10 -1.71 -3.44 117.51 117.64 2gsb h ILE 98 Ca -0.44 -0.22 -0.49 0.00 1.08 0.00 0.00 64.86 64.79 2gsb h ILE 98 Cb 1.26 0.96 -0.14 0.00 -1.09 0.00 0.00 36.82 37.81 2gsb h ILE 98 CO 0.96 0.00 -0.59 -0.69 -1.08 0.00 0.00 178.15 176.74 2gsb s VAL 99 N -3.43 1.11 0.32 2.19 1.01 -1.21 -5.01 120.40 115.37 2gsb s VAL 99 Ca 0.02 -2.00 0.19 0.00 0.00 0.00 0.00 61.98 60.19 2gsb s VAL 99 Cb 0.09 -2.72 0.31 0.00 0.00 0.00 0.00 36.38 34.05 2gsb s VAL 99 CO 0.38 0.00 1.32 -1.84 0.00 0.00 0.00 175.10 174.96 2gsb n GLU 100 N -0.73 -0.05 -2.71 2.72 0.28 -1.26 -3.30 120.64 115.59 2gsb n GLU 100 Ca -0.03 1.15 -0.07 0.00 -0.16 0.00 0.00 57.16 58.04 2gsb n GLU 100 Cb 0.66 -2.08 0.10 0.00 1.43 0.00 0.00 31.44 31.55 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 -1.24 -0.06 3.16 -1.84 0.00 -1.26 -5.07 105.19 98.88 2gsb n GLY 101 Ca 0.32 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 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 0.19 -0.44 0.07 1.61 1.51 -1.21 -5.10 117.35 113.99 2gsb s TYR 102 Ca 0.21 0.99 0.05 0.00 -1.01 0.00 0.00 57.07 57.31 2gsb s TYR 102 Cb 0.29 0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 42.24 2gsb s TYR 102 CO -0.10 -0.27 -0.05 0.71 -1.11 0.00 0.00 175.55 174.73 2gsb s TYR 103 N 1.18 2.87 -0.36 2.71 2.02 -1.26 -2.35 117.35 122.16 2gsb s TYR 103 Ca -0.08 -0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 2gsb s TYR 103 Cb -0.09 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 2gsb s TYR 103 CO -0.09 0.43 1.28 -0.51 -1.57 0.00 0.00 175.55 175.10 2gsb s LEU 104 N -2.04 3.77 -0.07 -1.29 1.43 -1.26 -4.88 118.68 114.34 2gsb s LEU 104 Ca 0.22 0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2gsb s LEU 104 Cb -0.11 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 2gsb s LEU 104 CO 0.14 -1.19 0.00 0.11 0.23 0.00 0.00 176.35 175.64 2gsb h LYS 105 N 9.55 -0.00 -2.48 1.70 1.79 -1.87 -3.44 116.57 121.82 2gsb h LYS 105 Ca -0.25 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.12 2gsb h LYS 105 Cb 1.09 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.52 2gsb h LYS 105 CO 1.06 -0.00 -0.10 -1.83 -1.08 0.00 0.00 179.45 177.51 2gsb s GLU 106 N -1.39 0.64 0.54 3.15 -1.05 -1.00 -5.07 118.70 114.52 2gsb s GLU 106 Ca -0.00 0.64 -0.20 0.00 -0.15 0.00 0.00 54.97 55.26 2gsb s GLU 106 Cb 0.00 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 2gsb s GLU 106 CO 0.00 -0.10 1.13 -1.25 0.95 0.00 0.00 175.26 175.99 2gsb s PRO 107 N 0.08 3.37 0.07 -4.83 0.04 -1.26 -3.74 135.00 128.73 2gsb s PRO 107 Ca -0.02 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 2gsb s PRO 107 Cb -0.04 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2gsb s PRO 107 CO 0.02 -0.83 1.82 0.28 0.04 0.00 0.00 177.00 178.32 2gsb n VAL 108 N -1.28 0.40 -1.10 -0.36 0.31 0.12 -4.83 118.33 111.60 2gsb n VAL 108 Ca 0.12 -0.07 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 2gsb n VAL 108 Cb 0.51 -1.98 0.22 0.00 -0.91 0.00 0.00 33.84 31.68 2gsb n VAL 108 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2gsb s PRO 109 N 2.95 -0.79 0.52 5.55 0.04 -1.26 -4.37 135.00 137.63 2gsb s PRO 109 Ca 0.85 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.99 2gsb s PRO 109 Cb -0.56 -1.63 0.10 0.00 0.04 0.00 0.00 34.50 32.44 2gsb s PRO 109 CO 0.42 -3.46 0.71 -1.33 0.04 0.00 0.00 177.00 173.38 2gsb n MET 110 N -4.61 0.19 -2.28 4.56 2.81 -1.26 -5.04 117.12 111.50 2gsb n MET 110 Ca 0.11 -2.04 -0.28 0.00 -1.81 0.00 0.00 57.70 53.67 2gsb n MET 110 Cb 0.59 -0.44 0.01 0.00 -0.71 0.00 0.00 33.22 32.67 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 -2.28 3.37 -4.25 0.03 3.00 -1.26 -4.93 117.38 111.06 2gsb n GLN 111 Ca 0.12 -4.28 -0.35 0.00 -0.01 0.00 0.00 57.00 52.48 2gsb n GLN 111 Cb 0.43 -2.26 -0.08 0.00 0.00 0.00 0.00 30.24 28.33 2gsb n GLN 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2gsb n ASP 112 N -0.55 -0.69 -4.32 1.08 2.03 -1.26 -4.90 116.55 107.94 2gsb n ASP 112 Ca 0.43 -1.16 -0.32 0.00 0.52 0.00 0.00 54.79 54.26 2gsb n ASP 112 Cb 0.68 -1.47 -0.16 0.00 -0.72 0.00 0.00 41.12 39.46 2gsb n ASP 112 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2gsb s GLN 113 N -6.85 2.47 0.04 -0.67 0.74 -1.26 -5.13 119.66 108.99 2gsb s GLN 113 Ca 0.47 -0.87 -0.21 0.00 0.05 0.00 0.00 55.36 54.80 2gsb s GLN 113 Cb -0.28 -2.19 0.05 0.00 1.10 0.00 0.00 33.01 31.69 2gsb s GLN 113 CO 0.94 0.46 0.48 0.45 -0.55 0.00 0.00 175.29 177.07 2gsb s SER 114 N -0.35 -0.39 0.32 6.67 0.15 -1.26 -5.14 113.70 113.70 2gsb s SER 114 Ca 0.02 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2gsb s SER 114 Cb -0.12 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2gsb s SER 114 CO 0.02 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.39 2gsb n GLY 115 N 0.52 -1.77 0.26 9.45 0.00 -1.26 -4.34 105.19 108.05 2gsb n GLY 115 Ca -0.19 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 0.91 -6.53 1.61 0.13 -2.07 -3.47 132.00 122.58 2gsb h PRO 116 Ca 0.00 -0.48 -0.51 0.00 -0.87 0.00 0.00 66.00 64.14 2gsb h PRO 116 Cb 0.12 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 31.14 2gsb h PRO 116 CO 0.00 1.13 -0.81 0.45 -0.23 0.00 0.00 178.00 178.55 2gsb n SER 117 N -4.09 -3.58 -3.54 1.44 2.88 -1.26 -4.94 113.62 100.53 2gsb n SER 117 Ca -0.02 -0.91 -0.18 0.00 -1.33 0.00 0.00 58.87 56.43 2gsb n SER 117 Cb 0.54 -3.28 -0.13 0.00 -0.75 0.00 0.00 64.21 60.59 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 -3.43 1.21 0.00 -3.46 0.15 -1.26 -5.18 113.70 101.74 2gsb s SER 118 Ca 0.62 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2gsb s SER 118 Cb -0.33 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2gsb s SER 118 CO 0.88 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.62