#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 6.35 0.73 1.61 1.04 -1.26 -5.02 113.70 117.16 2gsb s SER 2 Ca 0.00 -1.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.06 2gsb s SER 2 Cb 0.00 -2.44 0.12 0.00 0.10 0.00 0.00 66.02 63.80 2gsb s SER 2 CO 0.00 -1.35 1.02 -0.94 0.98 0.00 0.00 173.24 172.94 2gsb s SER 3 N 3.80 4.33 0.39 7.02 1.04 -1.26 -4.96 113.70 124.06 2gsb s SER 3 Ca 0.29 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2gsb s SER 3 Cb -0.11 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2gsb s SER 3 CO 0.02 -1.88 0.00 0.61 0.98 0.00 0.00 173.24 172.98 2gsb n GLY 4 N -2.92 -4.74 0.63 7.32 0.00 -1.26 -5.02 105.19 99.20 2gsb n GLY 4 Ca 0.14 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 2gsb n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2gsb n SER 5 N -0.07 1.26 -4.30 1.61 2.88 -1.26 -4.87 113.62 108.88 2gsb n SER 5 Ca 0.00 0.20 -0.44 0.00 -1.33 0.00 0.00 58.87 57.30 2gsb n SER 5 Cb 0.00 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 2gsb n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2gsb s SER 6 N -6.01 6.95 0.32 -3.46 1.04 -1.26 -5.00 113.70 106.29 2gsb s SER 6 Ca -0.14 -3.38 0.00 0.00 0.48 0.00 0.00 55.95 52.90 2gsb s SER 6 Cb 0.03 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2gsb s SER 6 CO 0.20 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2gsb n GLY 7 N 2.96 -2.24 3.48 7.32 0.00 -1.26 -5.04 105.19 110.42 2gsb n GLY 7 Ca 0.21 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.61 1.13 0.70 1.61 1.70 -1.26 -4.88 118.95 115.33 2gsb s ARG 8 Ca 0.00 -0.08 -0.16 0.00 -0.47 0.00 0.00 55.73 55.01 2gsb s ARG 8 Cb 0.00 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 2gsb s ARG 8 CO 0.00 -0.43 1.27 -1.83 -1.08 0.00 0.00 175.30 173.23 2gsb s GLU 9 N -2.38 2.25 0.45 3.89 1.03 -1.26 -5.04 118.70 117.65 2gsb s GLU 9 Ca -0.05 1.97 0.03 0.00 0.03 0.00 0.00 54.97 56.95 2gsb s GLU 9 Cb -0.00 -1.82 -0.04 0.00 -0.80 0.00 0.00 34.13 31.47 2gsb s GLU 9 CO -0.01 -1.81 0.03 -1.83 -1.33 0.00 0.00 175.26 170.31 2gsb s GLU 10 N -3.63 2.04 0.32 -4.83 -1.05 -1.26 -5.15 118.70 105.15 2gsb s GLU 10 Ca 0.80 -2.25 -0.08 0.00 -0.15 0.00 0.00 54.97 53.28 2gsb s GLU 10 Cb -0.35 -1.34 -0.06 0.00 -0.44 0.00 0.00 34.13 31.94 2gsb s GLU 10 CO 0.43 -0.29 0.63 -0.51 0.95 0.00 0.00 175.26 176.47 2gsb s ASP 11 N -3.76 6.52 0.04 0.83 1.01 -1.26 -5.02 116.67 115.03 2gsb s ASP 11 Ca 0.18 0.92 -0.21 0.00 0.71 0.00 0.00 52.55 54.15 2gsb s ASP 11 Cb 0.04 -2.23 -0.15 0.00 1.01 0.00 0.00 42.92 41.60 2gsb s ASP 11 CO 0.10 -0.24 1.34 1.55 0.21 0.00 0.00 175.17 178.13 2gsb h PRO 12 N 1.71 0.34 -0.92 8.23 0.13 -2.05 -3.20 132.00 136.23 2gsb h PRO 12 Ca -0.47 -0.18 0.27 0.00 -0.87 0.00 0.00 66.00 64.75 2gsb h PRO 12 Cb 1.18 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2gsb h PRO 12 CO 0.66 0.73 0.33 1.25 -0.23 0.00 0.00 178.00 180.73 2gsb h HIS 13 N -0.04 0.51 -3.51 1.56 2.76 -2.03 -3.39 115.15 111.01 2gsb h HIS 13 Ca 0.02 0.05 -0.52 0.00 -2.20 0.00 0.00 60.37 57.72 2gsb h HIS 13 Cb 0.66 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 2gsb h HIS 13 CO 0.08 -0.22 0.36 -1.21 -1.30 0.00 0.00 177.93 175.64 2gsb s GLU 14 N -5.85 4.65 0.00 5.26 2.02 -1.21 -3.93 118.70 119.64 2gsb s GLU 14 Ca -0.11 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.31 2gsb s GLU 14 Cb 0.28 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2gsb s GLU 14 CO 0.78 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.59 2gsb n GLY 15 N 2.47 3.41 3.37 -1.39 0.00 -1.26 -4.82 105.19 106.96 2gsb n GLY 15 Ca 0.03 -1.05 -0.48 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 0.00 -0.01 1.61 4.76 -1.25 -4.84 118.16 118.43 2gsb n LYS 16 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2gsb n LYS 16 Cb 0.00 -1.01 0.20 0.00 -1.84 0.00 0.00 35.03 32.38 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 1.05 1.26 0.00 -0.18 2.10 -1.96 -2.40 117.51 117.37 2gsb h ILE 17 Ca -0.28 -1.20 0.00 0.00 1.08 0.00 0.00 64.86 64.46 2gsb h ILE 17 Cb 1.43 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 2gsb h ILE 17 CO 0.57 0.39 0.00 4.11 -1.08 0.00 0.00 178.15 182.13 2gsb h TRP 18 N 0.48 0.00 -3.88 2.19 5.08 -1.88 -3.36 115.95 114.58 2gsb h TRP 18 Ca 0.08 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.58 2gsb h TRP 18 Cb 0.62 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.76 2gsb h TRP 18 CO 0.02 0.00 0.27 0.12 -1.28 0.00 0.00 178.44 177.57 2gsb s PHE 19 N -3.15 3.51 -0.24 0.12 5.36 -0.91 -1.38 117.98 121.29 2gsb s PHE 19 Ca 0.09 1.58 -0.03 0.00 -0.96 0.00 0.00 56.93 57.61 2gsb s PHE 19 Cb 0.10 -2.80 0.10 0.00 -0.34 0.00 0.00 43.02 40.09 2gsb s PHE 19 CO 0.61 0.10 0.21 -1.01 -1.46 0.00 0.00 175.22 173.67 2gsb s HIS 20 N -1.85 -0.17 0.00 10.12 3.76 0.20 -4.83 115.29 122.51 2gsb s HIS 20 Ca 0.54 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 2gsb s HIS 20 Cb -0.14 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.04 2gsb s HIS 20 CO 0.19 -0.71 0.04 0.41 -0.85 0.00 0.00 174.74 173.81 2gsb n GLY 21 N 5.30 0.80 0.09 -2.22 0.00 -1.26 -4.06 105.19 103.83 2gsb n GLY 21 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2gsb n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2gsb h LYS 22 N 0.00 0.00 -7.70 1.61 5.09 -1.98 -3.47 116.57 110.11 2gsb h LYS 22 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 60.65 60.28 2gsb h LYS 22 Cb 0.01 0.00 0.13 0.00 0.10 0.00 0.00 32.23 32.47 2gsb h LYS 22 CO 0.00 0.48 0.40 0.96 -2.09 0.00 0.00 179.45 179.21 2gsb s ILE 23 N -2.73 1.99 0.22 0.07 -4.36 -1.26 -5.10 121.20 110.03 2gsb s ILE 23 Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 60.65 60.47 2gsb s ILE 23 Cb 0.08 -2.98 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 2gsb s ILE 23 CO 0.82 0.00 -0.21 -0.44 0.24 0.00 0.00 174.94 175.35 2gsb s SER 24 N -4.67 3.57 0.06 4.36 0.01 -1.26 -4.97 113.70 110.80 2gsb s SER 24 Ca 0.68 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.94 2gsb s SER 24 Cb -0.08 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 2gsb s SER 24 CO 0.51 0.10 1.12 1.17 0.41 0.00 0.00 173.24 176.55 2gsb n LYS 25 N -0.01 -0.17 -0.20 12.44 0.00 -1.26 -0.25 118.16 128.71 2gsb n LYS 25 Ca -0.10 1.11 -0.09 0.00 0.00 0.00 0.00 58.31 59.22 2gsb n LYS 25 Cb 0.57 -1.65 -0.05 0.00 0.00 0.00 0.00 35.03 33.90 2gsb n LYS 25 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2gsb h GLN 26 N 0.00 -0.24 -0.21 1.64 4.15 -2.01 -1.46 115.11 116.97 2gsb h GLN 26 Ca 0.06 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.55 2gsb h GLN 26 Cb 0.16 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.83 2gsb h GLN 26 CO -0.37 -0.16 -0.38 0.93 -1.93 0.00 0.00 178.83 176.92 2gsb h GLU 27 N -0.25 -0.39 -0.78 1.69 4.39 -1.41 -1.80 114.58 116.03 2gsb h GLU 27 Ca 0.16 0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.03 2gsb h GLU 27 Cb 0.57 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.16 2gsb h GLU 27 CO -0.67 -0.26 -0.23 0.00 -1.16 0.00 0.00 179.01 176.68 2gsb n ALA 28 N -2.93 0.08 -0.17 3.43 0.00 0.65 0.15 120.51 121.73 2gsb n ALA 28 Ca -0.02 0.83 -0.03 0.00 0.00 0.00 0.00 53.44 54.21 2gsb n ALA 28 Cb 0.35 -0.45 0.06 0.00 0.00 0.00 0.00 19.45 19.41 2gsb n ALA 28 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2gsb h TYR 29 N 0.00 0.37 0.00 0.00 0.05 -1.13 -0.30 116.97 115.97 2gsb h TYR 29 Ca 0.34 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.11 2gsb h TYR 29 Cb 0.53 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 2gsb h TYR 29 CO -0.63 0.14 -0.13 -0.97 -1.05 0.00 0.00 178.16 175.52 2gsb h ASN 30 N 0.41 0.00 0.41 3.88 -1.24 0.16 -3.17 115.58 116.02 2gsb h ASN 30 Ca 0.24 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 2gsb h ASN 30 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2gsb h ASN 30 CO -0.22 0.13 -0.19 -0.07 -1.29 0.00 0.00 177.43 175.79 2gsb h LEU 31 N 0.00 -0.46 -2.00 0.34 3.38 0.20 -2.14 115.31 114.62 2gsb h LEU 31 Ca -0.00 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.04 2gsb h LEU 31 Cb 0.79 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2gsb h LEU 31 CO 0.02 -0.02 0.43 -0.07 0.09 0.00 0.00 178.44 178.89 2gsb h LEU 32 N -1.08 0.00 -0.04 1.67 3.38 -1.29 1.16 115.31 119.11 2gsb h LEU 32 Ca -0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 2gsb h LEU 32 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2gsb h LEU 32 CO 0.09 0.00 -1.05 0.24 0.09 0.00 0.00 178.44 177.81 2gsb h MET 33 N 0.00 0.15 0.00 1.13 2.86 -1.52 -2.95 114.93 114.61 2gsb h MET 33 Ca 0.21 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2gsb h MET 33 Cb 1.08 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2gsb h MET 33 CO -0.00 1.06 0.00 0.25 1.06 0.00 0.00 176.91 179.28 2gsb n THR 34 N -3.51 0.00 0.25 2.22 -2.24 0.98 -4.66 114.28 107.33 2gsb n THR 34 Ca -0.04 0.36 0.11 0.00 -2.27 0.00 0.00 64.05 62.21 2gsb n THR 34 Cb 0.93 -1.35 0.68 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.72 -1.36 2.28 -1.51 0.95 -3.44 116.25 113.89 2gsb h VAL 35 Ca 0.00 -0.53 -0.50 0.00 -1.23 0.00 0.00 66.70 64.43 2gsb h VAL 35 Cb 0.00 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.45 2gsb h VAL 35 CO 0.00 0.13 -0.36 -0.83 -1.23 0.00 0.00 177.57 175.28 2gsb s GLY 36 N -4.19 2.15 0.32 5.19 0.00 0.40 -4.56 107.32 106.62 2gsb s GLY 36 Ca -0.03 -1.83 -0.10 0.00 0.00 0.00 0.00 44.72 42.76 2gsb s GLY 36 CO 0.61 -1.73 0.56 1.20 0.00 0.00 0.00 173.10 173.74 2gsb s GLN 37 N -4.17 1.85 0.15 2.90 -0.21 -1.12 -4.21 119.66 114.84 2gsb s GLN 37 Ca 0.47 -1.46 -0.32 0.00 0.02 0.00 0.00 55.36 54.07 2gsb s GLN 37 Cb -0.03 0.50 -0.18 0.00 1.00 0.00 0.00 33.01 34.31 2gsb s GLN 37 CO 0.27 -0.80 0.75 0.28 -2.12 0.00 0.00 175.29 173.68 2gsb n VAL 38 N -0.49 1.37 -3.09 1.09 0.31 -1.26 -1.93 118.33 114.33 2gsb n VAL 38 Ca -0.02 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 63.83 2gsb n VAL 38 Cb 0.61 -0.13 0.06 0.00 -0.91 0.00 0.00 33.84 33.47 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 -3.69 0.53 0.37 0.00 0.01 -0.81 -2.72 113.70 107.39 2gsb s SER 40 Ca 0.15 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.36 2gsb s SER 40 Cb -0.06 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2gsb s SER 40 CO 0.51 0.04 0.09 0.72 0.41 0.00 0.00 173.24 175.01 2gsb s PHE 41 N -0.02 1.85 -0.26 2.43 -0.71 -1.23 -1.40 117.98 118.63 2gsb s PHE 41 Ca 0.01 -1.12 -0.25 0.00 -1.04 0.00 0.00 56.93 54.52 2gsb s PHE 41 Cb -0.03 -1.21 0.09 0.00 -1.21 0.00 0.00 43.02 40.66 2gsb s PHE 41 CO -0.00 -0.15 0.84 -0.48 -1.34 0.00 0.00 175.22 174.08 2gsb s LEU 42 N -3.54 -0.63 -0.14 -1.99 0.05 -1.09 -0.63 118.68 110.69 2gsb s LEU 42 Ca 0.30 1.20 -0.10 0.00 0.05 0.00 0.00 54.13 55.57 2gsb s LEU 42 Cb 0.06 2.25 -0.05 0.00 -2.05 0.00 0.00 46.19 46.40 2gsb s LEU 42 CO 0.14 -0.23 0.19 -0.69 -0.55 0.00 0.00 176.35 175.22 2gsb s VAL 43 N 0.24 5.39 -0.14 1.48 1.01 -0.48 -2.17 120.40 125.73 2gsb s VAL 43 Ca 0.01 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 2gsb s VAL 43 Cb -0.05 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.87 2gsb s VAL 43 CO -0.01 0.51 0.37 -0.60 0.00 0.00 0.00 175.10 175.37 2gsb s ARG 44 N -0.28 0.43 0.20 2.72 3.52 -1.16 0.58 118.95 124.96 2gsb s ARG 44 Ca 0.14 0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.96 2gsb s ARG 44 Cb -0.12 0.20 -0.09 0.00 -1.56 0.00 0.00 34.95 33.38 2gsb s ARG 44 CO 0.03 -0.06 1.30 -1.25 -0.81 0.00 0.00 175.30 174.51 2gsb s PRO 45 N 0.24 4.40 1.04 5.12 0.04 -1.26 -1.48 135.00 143.09 2gsb s PRO 45 Ca -0.00 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2gsb s PRO 45 Cb -0.03 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.36 2gsb s PRO 45 CO 0.00 -0.24 0.02 0.45 0.04 0.00 0.00 177.00 177.27 2gsb n SER 46 N 2.56 -2.53 -0.07 6.66 2.88 0.11 -4.86 113.62 118.37 2gsb n SER 46 Ca 0.06 0.08 -0.14 0.00 -1.33 0.00 0.00 58.87 57.54 2gsb n SER 46 Cb 0.43 -1.02 -0.05 0.00 -0.75 0.00 0.00 64.21 62.82 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 -0.90 0.95 0.23 -3.46 -0.08 -1.26 -4.74 116.55 107.29 2gsb n ASP 47 Ca 0.03 0.16 -0.15 0.00 -1.51 0.00 0.00 54.79 53.32 2gsb n ASP 47 Cb 0.59 -0.40 -0.08 0.00 2.34 0.00 0.00 41.12 43.58 2gsb n ASP 47 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2gsb h ASN 48 N -0.48 -0.45 -3.65 1.67 4.21 -2.00 -3.40 115.58 111.49 2gsb h ASN 48 Ca -0.34 0.01 -0.67 0.00 1.21 0.00 0.00 56.30 56.52 2gsb h ASN 48 Cb 1.29 0.12 -0.23 0.00 -1.12 0.00 0.00 38.32 38.37 2gsb h ASN 48 CO -0.20 -0.32 -0.57 -0.89 -1.29 0.00 0.00 177.43 174.16 2gsb s THR 49 N -6.11 4.52 -0.11 2.81 2.01 -1.26 -5.06 115.64 112.44 2gsb s THR 49 Ca -0.16 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2gsb s THR 49 Cb 0.04 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2gsb s THR 49 CO 0.64 0.08 1.53 -2.16 -0.69 0.00 0.00 174.62 174.02 2gsb s PRO 50 N 1.60 4.15 0.00 4.92 0.04 -1.26 -2.79 135.00 141.67 2gsb s PRO 50 Ca 0.04 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2gsb s PRO 50 Cb -0.17 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2gsb s PRO 50 CO 0.06 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2gsb n GLY 51 N 4.03 2.40 3.90 0.56 0.00 -1.26 -5.10 105.19 109.72 2gsb n GLY 51 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.69 5.67 0.12 1.61 1.11 -1.12 -4.75 116.67 117.63 2gsb s ASP 52 Ca 0.00 0.99 0.04 0.00 0.18 0.00 0.00 52.55 53.76 2gsb s ASP 52 Cb 0.00 -1.94 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 2gsb s ASP 52 CO 0.00 -1.11 -0.11 -0.31 1.18 0.00 0.00 175.17 174.82 2gsb s TYR 53 N -3.14 1.19 -0.12 4.23 2.02 -0.72 0.04 117.35 120.84 2gsb s TYR 53 Ca 0.55 -0.67 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 2gsb s TYR 53 Cb -0.11 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.88 2gsb s TYR 53 CO 0.49 0.05 0.27 -1.12 -1.57 0.00 0.00 175.55 173.67 2gsb s SER 54 N -2.68 0.03 0.03 2.29 0.01 -0.55 0.22 113.70 113.05 2gsb s SER 54 Ca 0.10 0.60 -0.09 0.00 1.31 0.00 0.00 55.95 57.87 2gsb s SER 54 Cb -0.01 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 2gsb s SER 54 CO 0.01 -0.21 0.33 -0.22 0.41 0.00 0.00 173.24 173.56 2gsb s LEU 55 N 1.90 4.38 0.24 2.44 0.20 -1.25 -2.97 118.68 123.62 2gsb s LEU 55 Ca -0.04 0.69 0.11 0.00 0.69 0.00 0.00 54.13 55.58 2gsb s LEU 55 Cb -0.11 -2.75 -0.05 0.00 -0.43 0.00 0.00 46.19 42.86 2gsb s LEU 55 CO -0.09 0.24 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.74 2gsb s TYR 56 N -1.30 2.42 -0.12 5.38 1.51 -0.92 -0.25 117.35 124.07 2gsb s TYR 56 Ca 0.28 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.95 2gsb s TYR 56 Cb -0.14 -1.11 0.04 0.00 -0.11 0.00 0.00 41.96 40.63 2gsb s TYR 56 CO 0.16 0.61 0.31 0.12 -1.11 0.00 0.00 175.55 175.64 2gsb s PHE 57 N -2.13 -0.38 -0.20 2.71 5.36 -1.22 -2.68 117.98 119.45 2gsb s PHE 57 Ca 0.27 0.89 -0.05 0.00 -0.96 0.00 0.00 56.93 57.08 2gsb s PHE 57 Cb -0.07 0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.71 2gsb s PHE 57 CO 0.15 -0.20 0.01 0.50 -1.46 0.00 0.00 175.22 174.21 2gsb s ARG 58 N 0.56 3.66 0.14 10.12 3.52 -0.49 -0.27 118.95 136.19 2gsb s ARG 58 Ca -0.03 -0.50 0.10 0.00 -0.13 0.00 0.00 55.73 55.17 2gsb s ARG 58 Cb -0.05 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2gsb s ARG 58 CO -0.03 0.05 -0.24 0.95 -0.81 0.00 0.00 175.30 175.22 2gsb s THR 59 N 0.90 2.09 0.57 4.11 -4.23 -0.15 -1.21 115.64 117.72 2gsb s THR 59 Ca 0.01 -1.80 0.41 0.00 -1.18 0.00 0.00 61.69 59.13 2gsb s THR 59 Cb -0.14 -1.90 0.60 0.00 1.34 0.00 0.00 72.50 72.40 2gsb s THR 59 CO 0.02 -0.06 1.53 -0.55 -0.54 0.00 0.00 174.62 175.02 2gsb h ASN 60 N 3.66 0.00 0.00 3.99 7.08 -1.97 -0.08 115.58 128.27 2gsb h ASN 60 Ca -0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 2gsb h ASN 60 Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 2gsb h ASN 60 CO 0.43 0.00 -0.04 -0.33 -2.08 0.00 0.00 177.43 175.42 2gsb h GLU 61 N 0.00 0.00 0.00 4.14 4.39 -2.02 -3.51 114.58 117.58 2gsb h GLU 61 Ca 0.74 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.53 2gsb h GLU 61 Cb 3.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 31.90 2gsb h GLU 61 CO -0.01 0.00 0.45 0.27 -1.16 0.00 0.00 179.01 178.56 2gsb n ASN 62 N -4.22 -1.66 -4.85 1.42 6.94 -0.04 -5.16 115.26 107.69 2gsb n ASN 62 Ca -0.00 -1.96 -0.38 0.00 -0.02 0.00 0.00 54.58 52.22 2gsb n ASN 62 Cb 0.02 2.72 -0.06 0.00 -2.36 0.00 0.00 39.78 40.10 2gsb n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2gsb s ILE 63 N -2.14 5.20 0.46 1.53 1.01 -1.26 -0.98 121.20 125.01 2gsb s ILE 63 Ca 0.19 0.61 0.04 0.00 0.00 0.00 0.00 60.65 61.49 2gsb s ILE 63 Cb -0.03 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.87 2gsb s ILE 63 CO 0.06 0.58 0.30 0.00 0.00 0.00 0.00 174.94 175.89 2gsb n GLN 64 N 1.96 0.83 -3.67 2.79 6.02 0.63 -4.98 117.38 120.95 2gsb n GLN 64 Ca -0.16 -2.91 -0.08 0.00 -0.01 0.00 0.00 57.00 53.84 2gsb n GLN 64 Cb 0.53 0.37 -0.09 0.00 1.02 0.00 0.00 30.24 32.08 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 -3.84 0.44 0.53 -1.09 3.52 -1.26 -3.38 118.95 113.86 2gsb s ARG 65 Ca 0.23 1.02 0.07 0.00 -0.13 0.00 0.00 55.73 56.92 2gsb s ARG 65 Cb -0.02 0.23 0.07 0.00 -1.56 0.00 0.00 34.95 33.67 2gsb s ARG 65 CO 0.14 -0.19 0.56 1.19 -0.81 0.00 0.00 175.30 176.19 2gsb n PHE 66 N 4.80 -1.43 -4.18 5.12 3.72 0.65 -5.00 117.46 121.15 2gsb n PHE 66 Ca -0.16 -2.10 -0.17 0.00 -0.05 0.00 0.00 57.45 54.96 2gsb n PHE 66 Cb 0.53 -0.47 -0.12 0.00 -0.94 0.00 0.00 39.48 38.48 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 -4.29 0.75 -0.16 -1.08 3.01 -1.26 -3.81 119.74 112.90 2gsb s LYS 67 Ca 0.42 -0.84 -0.05 0.00 -1.01 0.00 0.00 55.97 54.49 2gsb s LYS 67 Cb -0.03 -0.70 0.06 0.00 -1.01 0.00 0.00 37.83 36.14 2gsb s LYS 67 CO 0.27 0.16 0.09 0.42 0.51 0.00 0.00 175.35 176.80 2gsb s ILE 68 N -1.18 -0.10 -0.14 2.17 1.01 0.13 -3.46 121.20 119.64 2gsb s ILE 68 Ca -0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 2gsb s ILE 68 Cb -0.09 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 2gsb s ILE 68 CO 0.02 -0.25 0.21 0.00 0.00 0.00 0.00 174.94 174.92 2gsb s PRO 70 N -0.28 3.69 0.11 0.00 0.04 -1.26 -1.89 135.00 135.40 2gsb s PRO 70 Ca 0.15 1.74 0.10 0.00 0.04 0.00 0.00 61.00 63.03 2gsb s PRO 70 Cb -0.13 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2gsb s PRO 70 CO 0.04 -0.61 -0.24 0.95 0.04 0.00 0.00 177.00 177.18 2gsb s THR 71 N -1.59 2.03 -0.23 1.26 -4.23 -1.09 -4.90 115.64 106.89 2gsb s THR 71 Ca 0.65 -1.63 0.28 0.00 -1.18 0.00 0.00 61.69 59.82 2gsb s THR 71 Cb -0.28 -1.80 0.31 0.00 1.34 0.00 0.00 72.50 72.07 2gsb s THR 71 CO 0.33 0.07 1.83 1.55 -0.54 0.00 0.00 174.62 177.86 2gsb h PRO 72 N 4.07 0.00 -1.72 3.99 0.13 -1.97 -3.19 132.00 133.31 2gsb h PRO 72 Ca -0.49 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 2gsb h PRO 72 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 2gsb h PRO 72 CO 0.40 0.00 0.29 0.09 -0.23 0.00 0.00 178.00 178.54 2gsb n ASN 73 N -2.59 6.20 -4.12 1.44 4.13 -1.26 -4.82 115.26 114.24 2gsb n ASN 73 Ca 0.01 -2.94 -0.33 0.00 1.68 0.00 0.00 54.58 53.00 2gsb n ASN 73 Cb 0.25 -1.13 -0.05 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 0.78 -0.74 -2.78 6.41 4.13 -1.21 -4.90 115.26 116.95 2gsb n ASN 74 Ca 0.29 -1.17 -0.13 0.00 1.68 0.00 0.00 54.58 55.25 2gsb n ASN 74 Cb 0.58 -1.43 -0.03 0.00 -1.54 0.00 0.00 39.78 37.36 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gsb n GLN 75 N -4.41 0.59 -4.44 3.52 6.02 -1.25 -4.90 117.38 112.52 2gsb n GLN 75 Ca -0.23 -2.52 -0.20 0.00 -0.01 0.00 0.00 57.00 54.05 2gsb n GLN 75 Cb 0.59 2.38 -0.15 0.00 1.02 0.00 0.00 30.24 34.08 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 -3.16 0.95 -0.27 1.08 0.40 -0.84 -2.69 117.98 113.45 2gsb s PHE 76 Ca 0.27 -0.20 -0.07 0.00 -0.60 0.00 0.00 56.93 56.33 2gsb s PHE 76 Cb -0.01 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.88 2gsb s PHE 76 CO 0.19 -0.04 0.06 -1.64 0.70 0.00 0.00 175.22 174.49 2gsb s MET 77 N -0.13 3.39 -0.98 0.44 -1.94 -0.79 -1.95 119.30 117.34 2gsb s MET 77 Ca 0.02 -0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 53.32 2gsb s MET 77 Cb -0.05 -3.31 0.28 0.00 2.01 0.00 0.00 34.83 33.76 2gsb s MET 77 CO -0.00 -0.30 1.20 -0.12 -0.01 0.00 0.00 175.02 175.79 2gsb n MET 78 N 4.89 3.75 0.00 2.03 1.56 -1.22 -1.80 117.12 126.32 2gsb n MET 78 Ca -0.16 -4.56 0.00 0.00 -0.27 0.00 0.00 57.70 52.72 2gsb n MET 78 Cb 0.50 -2.46 0.00 0.00 2.15 0.00 0.00 33.22 33.41 2gsb n MET 78 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gsb n GLY 79 N 1.54 2.00 0.40 -5.12 0.00 -1.22 -4.39 105.19 98.40 2gsb n GLY 79 Ca 0.26 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.90 3.58 -0.02 0.00 -1.26 -5.07 105.19 103.33 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 1.90 -0.05 1.61 3.00 -1.26 -5.15 118.95 119.00 2gsb s ARG 81 Ca 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 55.73 53.68 2gsb s ARG 81 Cb 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 34.95 33.57 2gsb s ARG 81 CO 0.00 -0.14 -0.17 0.71 0.00 0.00 0.00 175.30 175.70 2gsb s TYR 82 N -2.92 2.63 0.10 -0.53 2.02 -1.26 -3.46 117.35 113.93 2gsb s TYR 82 Ca 0.32 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.70 2gsb s TYR 82 Cb 0.08 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2gsb s TYR 82 CO 0.15 0.09 0.08 0.71 -1.57 0.00 0.00 175.55 175.02 2gsb s TYR 83 N -0.60 0.56 -0.00 2.71 1.51 -0.82 -5.01 117.35 115.70 2gsb s TYR 83 Ca 0.09 -1.00 -0.12 0.00 -1.01 0.00 0.00 57.07 55.03 2gsb s TYR 83 Cb -0.11 -0.32 -0.06 0.00 -0.11 0.00 0.00 41.96 41.35 2gsb s TYR 83 CO 0.01 -0.50 0.76 -0.97 -1.11 0.00 0.00 175.55 173.74 2gsb h ASN 84 N 2.90 -0.36 -5.04 2.29 -1.24 -1.90 -2.24 115.58 109.99 2gsb h ASN 84 Ca -0.34 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.59 2gsb h ASN 84 Cb 1.18 0.09 -0.17 0.00 0.73 0.00 0.00 38.32 40.16 2gsb h ASN 84 CO 0.60 -0.15 -0.20 -0.94 -1.29 0.00 0.00 177.43 175.45 2gsb s SER 85 N -3.58 -0.19 0.30 1.15 1.04 -1.26 -4.09 113.70 107.08 2gsb s SER 85 Ca -0.06 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 2gsb s SER 85 Cb 0.01 0.38 0.65 0.00 0.10 0.00 0.00 66.02 67.15 2gsb s SER 85 CO 0.19 -0.62 1.57 0.40 0.98 0.00 0.00 173.24 175.75 2gsb h ILE 86 N 3.18 0.02 -0.89 -1.02 2.04 -1.95 0.44 117.51 119.33 2gsb h ILE 86 Ca -0.31 -0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.79 2gsb h ILE 86 Cb 1.20 0.01 -0.15 0.00 -0.74 0.00 0.00 36.82 37.14 2gsb h ILE 86 CO 0.45 0.00 0.18 1.23 0.00 0.00 0.00 178.15 180.01 2gsb h GLY 87 N 0.01 1.31 0.61 5.37 0.00 -2.02 -0.81 103.07 107.54 2gsb h GLY 87 Ca 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 2gsb h GLY 87 CO -0.96 -0.40 -0.08 1.29 0.00 0.00 0.00 176.54 176.39 2gsb h ASP 88 N 0.15 -0.18 -1.96 0.19 3.04 -0.53 -3.00 116.42 114.12 2gsb h ASP 88 Ca 0.56 -0.29 0.57 0.00 -3.24 0.00 0.00 57.03 54.63 2gsb h ASP 88 Cb 1.13 0.05 -0.08 0.00 -1.04 0.00 0.00 39.33 39.39 2gsb h ASP 88 CO -0.71 0.21 1.41 -0.38 -2.04 0.00 0.00 179.24 177.73 2gsb n ILE 89 N -5.01 -0.01 0.04 4.15 5.41 -0.34 0.66 119.36 124.27 2gsb n ILE 89 Ca -0.09 1.49 -0.12 0.00 1.00 0.00 0.00 62.75 65.03 2gsb n ILE 89 Cb 0.24 -2.49 -0.09 0.00 -0.71 0.00 0.00 39.64 36.60 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 1.04 -0.58 1.39 2.04 -1.33 -2.71 117.51 117.35 2gsb h ILE 90 Ca 0.94 -1.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 2gsb h ILE 90 Cb 3.75 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 41.49 2gsb h ILE 90 CO -0.02 0.24 0.04 -0.78 0.00 0.00 0.00 178.15 177.63 2gsb h ASP 91 N -0.73 0.98 -0.70 1.72 3.58 0.19 -0.12 116.42 121.33 2gsb h ASP 91 Ca -0.02 -0.29 0.07 0.00 0.42 0.00 0.00 57.03 57.21 2gsb h ASP 91 Cb 0.53 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 2gsb h ASP 91 CO 0.03 1.02 0.46 -0.74 -2.88 0.00 0.00 179.24 177.14 2gsb h HIS 92 N 0.90 0.72 0.17 0.28 2.76 -0.81 -2.23 115.15 116.93 2gsb h HIS 92 Ca 0.17 0.02 -0.31 0.00 -2.20 0.00 0.00 60.37 58.04 2gsb h HIS 92 Cb 0.50 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.23 2gsb h HIS 92 CO 0.04 0.37 -1.49 1.88 -1.30 0.00 0.00 177.93 177.43 2gsb h TYR 93 N 0.70 0.64 -1.09 5.26 0.05 -1.19 -3.13 116.97 118.20 2gsb h TYR 93 Ca 0.31 -0.46 0.41 0.00 0.05 0.00 0.00 58.73 59.04 2gsb h TYR 93 Cb 0.30 -0.03 -0.16 0.00 1.01 0.00 0.00 36.73 37.85 2gsb h TYR 93 CO -0.00 1.45 0.63 0.00 -1.05 0.00 0.00 178.16 179.19 2gsb h ARG 94 N 0.10 0.06 0.00 4.88 3.08 -0.38 1.07 114.38 123.20 2gsb h ARG 94 Ca -0.24 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.62 2gsb h ARG 94 Cb 2.06 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 32.06 2gsb h ARG 94 CO 0.20 0.04 -1.54 1.63 -1.07 0.00 0.00 179.97 179.24 2gsb n LYS 95 N -5.09 0.63 -3.87 0.04 5.02 -1.21 -4.72 118.16 108.96 2gsb n LYS 95 Ca 0.37 0.21 -0.36 0.00 -2.02 0.00 0.00 58.31 56.51 2gsb n LYS 95 Cb 1.29 -1.78 -0.14 0.00 -0.02 0.00 0.00 35.03 34.39 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2gsb s GLU 96 N -2.87 2.87 -0.65 1.97 0.41 0.37 -5.04 118.70 115.78 2gsb s GLU 96 Ca -0.04 -0.97 -0.34 0.00 -0.41 0.00 0.00 54.97 53.21 2gsb s GLU 96 Cb 0.09 -3.17 -0.16 0.00 -1.78 0.00 0.00 34.13 29.11 2gsb s GLU 96 CO 0.82 -0.45 2.40 0.00 -0.49 0.00 0.00 175.26 177.54 2gsb n GLN 97 N 4.74 0.43 0.19 1.61 10.64 -1.24 -4.43 117.38 129.32 2gsb n GLN 97 Ca -0.15 0.07 0.14 0.00 -1.83 0.00 0.00 57.00 55.23 2gsb n GLN 97 Cb 0.47 -2.04 0.73 0.00 -0.86 0.00 0.00 30.24 28.53 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 7.50 0.77 -1.17 -0.39 2.10 -1.65 -3.43 117.51 121.24 2gsb h ILE 98 Ca -0.15 0.00 -0.58 0.00 1.08 0.00 0.00 64.86 65.21 2gsb h ILE 98 Cb 1.33 0.91 -0.08 0.00 -1.09 0.00 0.00 36.82 37.89 2gsb h ILE 98 CO 1.19 0.00 -0.45 -0.69 -1.08 0.00 0.00 178.15 177.13 2gsb s VAL 99 N -4.91 2.00 0.27 2.19 1.01 -1.17 -4.98 120.40 114.80 2gsb s VAL 99 Ca -0.05 -1.67 0.15 0.00 0.00 0.00 0.00 61.98 60.40 2gsb s VAL 99 Cb 0.17 -2.68 0.26 0.00 0.00 0.00 0.00 36.38 34.14 2gsb s VAL 99 CO 0.64 0.00 1.18 -1.84 0.00 0.00 0.00 175.10 175.08 2gsb n GLU 100 N -1.38 -0.05 -2.68 2.72 0.28 -1.26 -3.22 120.64 115.05 2gsb n GLU 100 Ca -0.03 1.04 -0.06 0.00 -0.16 0.00 0.00 57.16 57.94 2gsb n GLU 100 Cb 0.65 -1.85 0.07 0.00 1.43 0.00 0.00 31.44 31.74 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 -1.21 0.51 2.84 -1.84 0.00 -1.26 -5.05 105.19 99.18 2gsb n GLY 101 Ca 0.28 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 0.13 0.28 -0.08 1.61 1.51 -1.20 -5.08 117.35 114.52 2gsb s TYR 102 Ca 0.14 -0.00 -0.00 0.00 -1.01 0.00 0.00 57.07 56.20 2gsb s TYR 102 Cb 0.26 -0.35 -0.03 0.00 -0.11 0.00 0.00 41.96 41.74 2gsb s TYR 102 CO -0.06 -0.10 -0.05 0.71 -1.11 0.00 0.00 175.55 174.94 2gsb s TYR 103 N 0.80 3.01 -0.34 2.71 1.51 -1.26 -2.32 117.35 121.46 2gsb s TYR 103 Ca -0.08 0.04 -0.28 0.00 -1.01 0.00 0.00 57.07 55.74 2gsb s TYR 103 Cb -0.11 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 2gsb s TYR 103 CO -0.01 0.34 2.11 -0.51 -1.11 0.00 0.00 175.55 176.36 2gsb s LEU 104 N -0.72 3.43 -0.08 -1.29 1.43 -1.26 -4.86 118.68 115.34 2gsb s LEU 104 Ca 0.11 1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 54.62 2gsb s LEU 104 Cb -0.11 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2gsb s LEU 104 CO 0.02 -2.13 0.06 0.11 0.23 0.00 0.00 176.35 174.64 2gsb h LYS 105 N 15.42 -0.04 -2.69 1.70 1.57 -1.90 -3.45 116.57 127.17 2gsb h LYS 105 Ca -0.34 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.33 2gsb h LYS 105 Cb 1.22 0.01 -0.24 0.00 0.08 0.00 0.00 32.23 33.30 2gsb h LYS 105 CO 1.04 -0.03 -0.21 -1.21 -0.57 0.00 0.00 179.45 178.48 2gsb s GLU 106 N -1.61 0.51 1.14 3.15 2.02 -1.10 -5.08 118.70 117.73 2gsb s GLU 106 Ca -0.01 0.59 -0.17 0.00 0.02 0.00 0.00 54.97 55.41 2gsb s GLU 106 Cb 0.00 0.25 0.26 0.00 0.10 0.00 0.00 34.13 34.74 2gsb s GLU 106 CO 0.02 -0.06 1.10 -1.25 0.02 0.00 0.00 175.26 175.09 2gsb s PRO 107 N 0.21 -0.76 -0.24 0.39 0.04 -1.26 -3.58 135.00 129.80 2gsb s PRO 107 Ca -0.00 0.10 -0.19 0.00 0.04 0.00 0.00 61.00 60.95 2gsb s PRO 107 Cb -0.03 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 2gsb s PRO 107 CO 0.01 -3.44 0.57 0.08 0.04 0.00 0.00 177.00 174.26 2gsb s VAL 108 N -2.99 5.05 0.46 -0.36 1.01 0.19 -4.74 120.40 119.01 2gsb s VAL 108 Ca 0.69 1.02 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 2gsb s VAL 108 Cb -0.12 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 2gsb s VAL 108 CO 0.57 0.09 1.16 -2.16 0.00 0.00 0.00 175.10 174.76 2gsb s PRO 109 N 2.15 3.74 0.78 2.72 0.04 -1.26 -4.44 135.00 138.74 2gsb s PRO 109 Ca 0.24 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 2gsb s PRO 109 Cb -0.16 -2.39 0.16 0.00 0.04 0.00 0.00 34.50 32.15 2gsb s PRO 109 CO 0.09 -0.56 0.35 -1.33 0.04 0.00 0.00 177.00 175.59 2gsb n MET 110 N -0.52 -1.28 -1.45 4.56 2.81 -1.26 -4.91 117.12 115.07 2gsb n MET 110 Ca 0.07 -0.59 -0.19 0.00 -1.81 0.00 0.00 57.70 55.18 2gsb n MET 110 Cb 0.48 -1.13 0.09 0.00 -0.71 0.00 0.00 33.22 31.95 2gsb n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gsb n GLN 111 N -1.51 2.80 -3.35 0.03 0.00 -1.26 -4.93 117.38 109.16 2gsb n GLN 111 Ca 0.06 -3.66 0.02 0.00 0.00 0.00 0.00 57.00 53.42 2gsb n GLN 111 Cb 0.24 -2.11 -0.04 0.00 0.00 0.00 0.00 30.24 28.33 2gsb n GLN 111 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2gsb s ASP 112 N -2.90 -0.56 -0.33 2.61 -1.08 -1.26 -5.01 116.67 108.13 2gsb s ASP 112 Ca 0.51 0.69 -0.23 0.00 -0.52 0.00 0.00 52.55 53.01 2gsb s ASP 112 Cb 0.43 1.61 0.00 0.00 -1.46 0.00 0.00 42.92 43.50 2gsb s ASP 112 CO 0.01 -0.11 0.78 -1.10 0.52 0.00 0.00 175.17 175.28 2gsb s GLN 113 N 2.50 3.87 -0.52 4.34 -0.21 -1.26 -4.95 119.66 123.43 2gsb s GLN 113 Ca -0.01 0.46 -0.43 0.00 0.02 0.00 0.00 55.36 55.39 2gsb s GLN 113 Cb -0.06 -3.76 -0.19 0.00 1.00 0.00 0.00 33.01 29.99 2gsb s GLN 113 CO -0.17 -0.76 2.15 0.45 -2.12 0.00 0.00 175.29 174.85 2gsb n SER 114 N 6.30 0.73 0.00 5.90 2.88 -1.26 -4.45 113.62 123.72 2gsb n SER 114 Ca 0.03 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2gsb n SER 114 Cb 0.48 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 7.41 -0.41 0.14 0.46 0.00 -1.26 -4.92 105.19 106.60 2gsb n GLY 115 Ca 0.55 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.58 2gsb n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gsb n PRO 116 N 0.00 0.20 -1.68 1.61 -0.04 -1.26 -4.80 135.00 129.03 2gsb n PRO 116 Ca 0.00 0.43 -0.52 0.00 -0.04 0.00 0.00 63.50 63.38 2gsb n PRO 116 Cb 0.00 -1.89 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 2gsb n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gsb n SER 117 N -2.27 2.79 -4.86 3.54 2.88 -1.26 -4.96 113.62 109.47 2gsb n SER 117 Ca 0.02 1.04 -0.21 0.00 -1.33 0.00 0.00 58.87 58.39 2gsb n SER 117 Cb 0.23 -1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 62.38 2gsb n SER 117 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2gsb s SER 118 N 2.92 5.36 0.00 -3.46 1.04 -1.26 -4.86 113.70 113.45 2gsb s SER 118 Ca 0.91 -0.45 0.24 0.00 0.48 0.00 0.00 55.95 57.14 2gsb s SER 118 Cb -0.85 -1.03 1.45 0.00 0.10 0.00 0.00 66.02 65.68 2gsb s SER 118 CO 0.54 -0.33 1.81 0.61 0.98 0.00 0.00 173.24 176.85