#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 -0.29 0.17 1.61 0.01 -1.26 -5.06 113.70 108.88 2gsb s SER 2 Ca 0.00 -0.36 -0.27 0.00 1.31 0.00 0.00 55.95 56.63 2gsb s SER 2 Cb 0.00 0.55 0.01 0.00 0.21 0.00 0.00 66.02 66.79 2gsb s SER 2 CO 0.00 -0.98 1.55 -1.28 0.41 0.00 0.00 173.24 172.95 2gsb h SER 3 N 2.22 -1.80 -5.00 2.44 0.87 -2.11 -3.47 113.55 106.69 2gsb h SER 3 Ca -0.31 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2gsb h SER 3 Cb 1.27 0.82 0.00 0.00 -0.44 0.00 0.00 62.40 64.04 2gsb h SER 3 CO 0.41 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.02 2gsb n GLY 4 N -1.35 1.03 3.22 5.77 0.00 -1.26 -5.10 105.19 107.50 2gsb n GLY 4 Ca 0.03 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 1.61 -0.83 1.61 0.01 -1.26 -5.10 113.70 109.74 2gsb s SER 5 Ca 0.00 -0.94 -0.18 0.00 1.31 0.00 0.00 55.95 56.13 2gsb s SER 5 Cb 0.00 0.01 0.13 0.00 0.21 0.00 0.00 66.02 66.37 2gsb s SER 5 CO 0.00 -0.32 0.99 -0.55 0.41 0.00 0.00 173.24 173.77 2gsb s SER 6 N -2.91 6.53 0.00 2.44 0.15 -1.26 -4.92 113.70 113.74 2gsb s SER 6 Ca 0.12 -1.93 0.00 0.00 0.70 0.00 0.00 55.95 54.84 2gsb s SER 6 Cb 0.01 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2gsb s SER 6 CO -0.00 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.01 2gsb n GLY 7 N 5.21 -2.01 3.52 9.45 0.00 -1.26 -5.06 105.19 115.04 2gsb n GLY 7 Ca 0.14 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2gsb n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb s ARG 8 N -1.83 3.48 -0.33 1.61 0.52 -1.26 -4.94 118.95 116.20 2gsb s ARG 8 Ca 0.00 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2gsb s ARG 8 Cb 0.00 -4.94 0.10 0.00 0.52 0.00 0.00 34.95 30.64 2gsb s ARG 8 CO 0.00 -2.04 0.09 -1.21 0.02 0.00 0.00 175.30 172.16 2gsb s GLU 9 N 4.37 1.01 0.45 3.54 0.41 -1.26 -5.11 118.70 122.10 2gsb s GLU 9 Ca 0.38 -1.41 0.03 0.00 -0.41 0.00 0.00 54.97 53.57 2gsb s GLU 9 Cb -0.04 -2.42 -0.03 0.00 -1.78 0.00 0.00 34.13 29.86 2gsb s GLU 9 CO -0.04 -0.98 0.05 -1.83 -0.49 0.00 0.00 175.26 171.97 2gsb s GLU 10 N 1.29 2.03 0.32 1.61 -1.05 -1.26 -5.08 118.70 116.55 2gsb s GLU 10 Ca 0.11 -2.25 -0.08 0.00 -0.15 0.00 0.00 54.97 52.60 2gsb s GLU 10 Cb -0.18 -1.17 -0.06 0.00 -0.44 0.00 0.00 34.13 32.27 2gsb s GLU 10 CO -0.18 -0.35 0.63 -0.51 0.95 0.00 0.00 175.26 175.80 2gsb s ASP 11 N -3.73 6.51 -0.02 0.83 1.11 -1.26 -5.03 116.67 115.08 2gsb s ASP 11 Ca 0.18 0.90 -0.26 0.00 0.18 0.00 0.00 52.55 53.55 2gsb s ASP 11 Cb 0.04 -2.22 -0.20 0.00 1.07 0.00 0.00 42.92 41.61 2gsb s ASP 11 CO 0.10 -0.24 1.24 1.55 1.18 0.00 0.00 175.17 179.00 2gsb h PRO 12 N 1.71 -0.04 -0.94 8.23 0.13 -2.06 -3.22 132.00 135.81 2gsb h PRO 12 Ca -0.47 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.94 2gsb h PRO 12 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2gsb h PRO 12 CO 0.66 0.43 0.33 1.25 -0.23 0.00 0.00 178.00 180.44 2gsb h HIS 13 N -0.53 0.51 -4.18 1.56 2.76 -2.03 -3.41 115.15 109.82 2gsb h HIS 13 Ca -0.00 0.05 -0.51 0.00 -2.20 0.00 0.00 60.37 57.71 2gsb h HIS 13 Cb 0.49 -0.07 0.10 0.00 1.55 0.00 0.00 27.41 29.48 2gsb h HIS 13 CO 0.09 -0.26 0.38 -1.21 -1.30 0.00 0.00 177.93 175.63 2gsb s GLU 14 N -5.83 2.86 0.00 5.26 0.41 -1.22 -3.63 118.70 116.56 2gsb s GLU 14 Ca -0.11 1.43 0.00 0.00 -0.41 0.00 0.00 54.97 55.87 2gsb s GLU 14 Cb 0.28 -1.96 0.00 0.00 -1.78 0.00 0.00 34.13 30.68 2gsb s GLU 14 CO 0.78 -1.21 0.00 0.41 -0.49 0.00 0.00 175.26 174.75 2gsb n GLY 15 N -0.42 2.99 2.87 -1.39 0.00 -1.26 -4.92 105.19 103.06 2gsb n GLY 15 Ca 0.11 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.20 1.61 4.76 -1.24 -4.84 118.16 118.25 2gsb n LYS 16 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2gsb n LYS 16 Cb 0.00 -1.02 0.02 0.00 -1.84 0.00 0.00 35.03 32.19 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 1.57 1.26 -0.01 -0.18 2.10 -1.94 -2.82 117.51 117.49 2gsb h ILE 17 Ca -0.32 -1.08 -0.12 0.00 1.08 0.00 0.00 64.86 64.43 2gsb h ILE 17 Cb 1.20 0.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.75 2gsb h ILE 17 CO 0.50 0.39 -0.55 4.11 -1.08 0.00 0.00 178.15 181.53 2gsb h TRP 18 N 0.88 0.02 -2.88 2.19 5.08 -1.88 -3.40 115.95 115.95 2gsb h TRP 18 Ca 0.17 -0.01 -0.55 0.00 1.08 0.00 0.00 58.89 59.58 2gsb h TRP 18 Cb 0.50 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 2gsb h TRP 18 CO 0.04 0.56 0.87 0.12 -1.28 0.00 0.00 178.44 178.75 2gsb s PHE 19 N -3.78 2.76 -0.54 0.12 5.36 -1.07 -2.22 117.98 118.60 2gsb s PHE 19 Ca -0.02 0.78 0.04 0.00 -0.96 0.00 0.00 56.93 56.78 2gsb s PHE 19 Cb 0.13 -3.66 0.17 0.00 -0.34 0.00 0.00 43.02 39.32 2gsb s PHE 19 CO 0.75 -2.46 0.40 -1.01 -1.46 0.00 0.00 175.22 171.44 2gsb s HIS 20 N 2.75 2.29 -0.29 10.12 3.76 -0.93 -4.77 115.29 128.21 2gsb s HIS 20 Ca 0.63 -2.79 0.22 0.00 -0.15 0.00 0.00 55.06 52.98 2gsb s HIS 20 Cb -0.30 -1.82 -0.19 0.00 1.11 0.00 0.00 32.58 31.39 2gsb s HIS 20 CO 0.25 -0.70 0.74 0.41 -0.85 0.00 0.00 174.74 174.59 2gsb n GLY 21 N 2.54 -1.13 0.08 -2.22 0.00 -1.26 -4.38 105.19 98.82 2gsb n GLY 21 Ca 0.23 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 0.12 0.00 1.61 1.57 -1.98 -3.46 116.57 114.43 2gsb h LYS 22 Ca 0.00 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.45 2gsb h LYS 22 Cb 0.89 0.01 0.14 0.00 0.08 0.00 0.00 32.23 33.35 2gsb h LYS 22 CO 0.00 0.64 -0.08 0.44 -0.57 0.00 0.00 179.45 179.88 2gsb n ILE 23 N -4.72 0.00 -4.61 1.86 -5.35 -1.26 -5.07 119.36 100.21 2gsb n ILE 23 Ca -0.08 -0.06 -0.28 0.00 -0.27 0.00 0.00 62.75 62.06 2gsb n ILE 23 Cb 0.32 -0.75 -0.08 0.00 -1.74 0.00 0.00 39.64 37.39 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 -2.88 3.32 0.12 7.28 0.01 -1.26 -4.98 113.70 115.32 2gsb s SER 24 Ca 0.46 -1.62 -0.18 0.00 1.31 0.00 0.00 55.95 55.92 2gsb s SER 24 Cb -0.07 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.52 2gsb s SER 24 CO 0.38 -0.84 1.71 0.50 0.41 0.00 0.00 173.24 175.39 2gsb h LYS 25 N 1.65 0.44 0.50 12.44 3.64 -1.98 -0.34 116.57 132.92 2gsb h LYS 25 Ca -0.40 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2gsb h LYS 25 Cb 1.28 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2gsb h LYS 25 CO 0.66 0.40 -0.24 0.37 -2.27 0.00 0.00 179.45 178.36 2gsb h GLN 26 N 0.38 -0.65 0.27 1.90 4.15 -2.01 -3.09 115.11 116.05 2gsb h GLN 26 Ca 0.11 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2gsb h GLN 26 Cb 0.09 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 2gsb h GLN 26 CO -0.02 -0.36 -0.52 0.93 -1.93 0.00 0.00 178.83 176.93 2gsb h GLU 27 N -0.86 -0.82 -0.74 1.69 3.07 -1.96 -2.55 114.58 112.41 2gsb h GLU 27 Ca -0.07 0.06 0.12 0.00 -0.50 0.00 0.00 59.36 58.96 2gsb h GLU 27 Cb 0.59 0.19 -0.12 0.00 -0.84 0.00 0.00 28.75 28.57 2gsb h GLU 27 CO 0.11 -0.55 -0.28 0.00 -1.40 0.00 0.00 179.01 176.89 2gsb n ALA 28 N -2.89 -0.08 -0.17 3.43 0.00 -0.14 0.11 120.51 120.77 2gsb n ALA 28 Ca -0.10 0.74 -0.03 0.00 0.00 0.00 0.00 53.44 54.05 2gsb n ALA 28 Cb 0.43 -0.34 0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.38 -0.51 0.00 0.05 -1.37 0.42 116.97 115.17 2gsb h TYR 29 Ca 0.26 0.05 -0.07 0.00 0.05 0.00 0.00 58.73 59.02 2gsb h TYR 29 Cb 0.45 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 2gsb h TYR 29 CO -0.65 -0.26 0.02 -0.97 -1.05 0.00 0.00 178.16 175.25 2gsb h ASN 30 N -0.04 0.82 0.43 3.88 -1.24 0.87 -2.98 115.58 117.32 2gsb h ASN 30 Ca 0.25 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 2gsb h ASN 30 Cb 0.42 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 2gsb h ASN 30 CO -0.56 0.87 -0.30 -0.07 -1.29 0.00 0.00 177.43 176.09 2gsb h LEU 31 N 0.80 -0.77 -1.61 0.34 3.38 0.13 0.32 115.31 117.90 2gsb h LEU 31 Ca 0.15 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.26 2gsb h LEU 31 Cb 0.45 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2gsb h LEU 31 CO 0.02 -0.44 0.58 -0.07 0.09 0.00 0.00 178.44 178.62 2gsb h LEU 32 N -0.69 0.00 0.00 1.67 3.38 -1.20 1.08 115.31 119.55 2gsb h LEU 32 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 2gsb h LEU 32 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2gsb h LEU 32 CO 0.04 0.00 -1.41 0.24 0.09 0.00 0.00 178.44 177.40 2gsb h MET 33 N 0.00 0.00 0.00 1.13 2.86 -1.16 -3.27 114.93 114.50 2gsb h MET 33 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2gsb h MET 33 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2gsb h MET 33 CO -0.00 0.46 0.00 0.25 1.06 0.00 0.00 176.91 178.68 2gsb n THR 34 N -3.03 0.00 -0.20 2.22 -2.24 0.32 -4.76 114.28 106.59 2gsb n THR 34 Ca -0.11 0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.81 2gsb n THR 34 Cb 0.93 -1.10 0.14 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.24 -3.12 2.28 -1.51 -0.25 -3.43 116.25 111.46 2gsb h VAL 35 Ca 0.00 -0.80 -0.49 0.00 -1.23 0.00 0.00 66.70 64.18 2gsb h VAL 35 Cb 0.00 0.51 0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2gsb h VAL 35 CO 0.00 0.31 -0.10 -0.83 -1.23 0.00 0.00 177.57 175.72 2gsb s GLY 36 N -3.52 1.54 0.19 5.19 0.00 0.61 -4.90 107.32 106.44 2gsb s GLY 36 Ca -0.11 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 43.92 2gsb s GLY 36 CO 0.82 -0.60 0.24 -1.06 0.00 0.00 0.00 173.10 172.50 2gsb n GLN 37 N -1.63 0.34 -1.43 2.90 6.02 -1.23 -4.03 117.38 118.33 2gsb n GLN 37 Ca -0.02 -1.64 -0.41 0.00 -0.01 0.00 0.00 57.00 54.91 2gsb n GLN 37 Cb 0.55 1.50 0.01 0.00 1.02 0.00 0.00 30.24 33.33 2gsb n GLN 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gsb n VAL 38 N -0.33 1.61 -2.28 5.09 0.31 -1.26 -1.52 118.33 119.95 2gsb n VAL 38 Ca 0.02 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.67 2gsb n VAL 38 Cb 0.33 -0.47 -0.01 0.00 -0.91 0.00 0.00 33.84 32.78 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 -2.25 3.18 0.22 0.00 0.15 -0.58 -3.00 113.70 111.43 2gsb s SER 40 Ca 0.00 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.00 2gsb s SER 40 Cb 0.00 -0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 2gsb s SER 40 CO 0.00 0.26 0.29 0.72 1.20 0.00 0.00 173.24 175.71 2gsb s PHE 41 N -0.81 0.81 -0.27 3.44 -0.71 -1.24 -1.09 117.98 118.12 2gsb s PHE 41 Ca 0.12 -1.09 -0.26 0.00 -1.04 0.00 0.00 56.93 54.65 2gsb s PHE 41 Cb -0.10 -0.23 0.15 0.00 -1.21 0.00 0.00 43.02 41.63 2gsb s PHE 41 CO 0.02 -0.80 1.19 -0.48 -1.34 0.00 0.00 175.22 173.81 2gsb s LEU 42 N -3.10 -0.27 0.32 -1.99 0.05 -0.94 -1.05 118.68 111.70 2gsb s LEU 42 Ca 0.32 0.47 0.01 0.00 0.05 0.00 0.00 54.13 54.97 2gsb s LEU 42 Cb 0.04 1.56 -0.03 0.00 -2.05 0.00 0.00 46.19 45.70 2gsb s LEU 42 CO 0.11 -0.13 0.52 -0.69 -0.55 0.00 0.00 176.35 175.60 2gsb s VAL 43 N -0.19 5.13 -0.16 1.48 1.01 -0.94 -1.93 120.40 124.79 2gsb s VAL 43 Ca 0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2gsb s VAL 43 Cb -0.04 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.55 2gsb s VAL 43 CO -0.08 -0.50 0.38 -0.13 0.00 0.00 0.00 175.10 174.77 2gsb s ARG 44 N -4.19 0.34 -0.24 2.72 0.52 -0.92 -2.19 118.95 114.99 2gsb s ARG 44 Ca 0.39 0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 56.09 2gsb s ARG 44 Cb -0.10 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 2gsb s ARG 44 CO 0.35 -0.18 1.62 -1.25 0.02 0.00 0.00 175.30 175.86 2gsb s PRO 45 N 1.62 3.75 0.13 3.54 0.04 -1.26 -1.74 135.00 141.08 2gsb s PRO 45 Ca -0.08 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 2gsb s PRO 45 Cb -0.09 -4.05 -0.16 0.00 0.04 0.00 0.00 34.50 30.24 2gsb s PRO 45 CO -0.12 -1.35 0.60 0.45 0.04 0.00 0.00 177.00 176.62 2gsb n SER 46 N 8.61 -0.79 0.05 6.66 2.88 0.15 -4.88 113.62 126.29 2gsb n SER 46 Ca 0.19 1.01 -0.22 0.00 -1.33 0.00 0.00 58.87 58.51 2gsb n SER 46 Cb 0.45 -0.83 -0.15 0.00 -0.75 0.00 0.00 64.21 62.94 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 1.39 0.54 0.00 -3.46 1.82 -1.91 -3.42 116.42 111.38 2gsb h ASP 47 Ca -0.31 -0.93 0.00 0.00 -0.39 0.00 0.00 57.03 55.41 2gsb h ASP 47 Cb 1.27 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.10 2gsb h ASP 47 CO 0.52 1.80 0.00 -3.20 -1.61 0.00 0.00 179.24 176.75 2gsb n ASN 48 N -3.55 0.00 -4.69 2.28 5.15 -1.26 -4.75 115.26 108.45 2gsb n ASN 48 Ca -0.27 0.60 -0.42 0.00 -0.60 0.00 0.00 54.58 53.88 2gsb n ASN 48 Cb 1.07 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.90 2gsb n ASN 48 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2gsb s THR 49 N -1.51 4.54 -2.00 -0.44 2.01 -1.26 -4.90 115.64 112.08 2gsb s THR 49 Ca 0.00 1.83 0.08 0.00 0.31 0.00 0.00 61.69 63.92 2gsb s THR 49 Cb 0.00 -4.18 0.24 0.00 0.01 0.00 0.00 72.50 68.57 2gsb s THR 49 CO 0.00 0.01 0.94 -0.81 -0.69 0.00 0.00 174.62 174.07 2gsb n PRO 50 N 5.02 0.49 -3.12 4.92 -0.04 -1.26 -3.73 135.00 137.27 2gsb n PRO 50 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 2gsb n PRO 50 Cb 0.48 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 2gsb n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gsb n GLY 51 N -0.01 2.44 3.59 0.55 0.00 -1.26 -5.05 105.19 105.44 2gsb n GLY 51 Ca 0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 2gsb n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gsb s ASP 52 N -1.26 -0.17 0.14 1.61 2.15 -1.24 -4.26 116.67 113.64 2gsb s ASP 52 Ca 0.35 -0.03 -0.04 0.00 0.43 0.00 0.00 52.55 53.25 2gsb s ASP 52 Cb 0.18 0.20 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 2gsb s ASP 52 CO -0.13 -0.34 0.14 -0.31 -0.17 0.00 0.00 175.17 174.37 2gsb s TYR 53 N -2.58 0.67 -0.03 -5.34 1.51 -0.87 -0.67 117.35 110.04 2gsb s TYR 53 Ca 0.09 -1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 55.10 2gsb s TYR 53 Cb -0.00 -0.31 0.03 0.00 -0.11 0.00 0.00 41.96 41.56 2gsb s TYR 53 CO -0.05 -0.60 0.05 -1.12 -1.11 0.00 0.00 175.55 172.72 2gsb s SER 54 N -3.01 0.03 -0.03 2.29 0.01 -0.71 -1.06 113.70 111.22 2gsb s SER 54 Ca 0.21 0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.47 2gsb s SER 54 Cb 0.06 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.23 2gsb s SER 54 CO 0.01 -0.12 0.28 -0.22 0.41 0.00 0.00 173.24 173.60 2gsb s LEU 55 N 0.94 4.40 -0.15 2.44 2.96 -1.23 -2.15 118.68 125.90 2gsb s LEU 55 Ca -0.08 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 2gsb s LEU 55 Cb -0.11 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.11 2gsb s LEU 55 CO -0.03 0.31 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.90 2gsb s TYR 56 N -1.17 1.92 -0.05 5.38 2.02 -0.82 -2.43 117.35 122.20 2gsb s TYR 56 Ca 0.23 -1.10 0.04 0.00 -0.37 0.00 0.00 57.07 55.87 2gsb s TYR 56 Cb -0.14 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 2gsb s TYR 56 CO 0.12 -0.62 -0.16 0.12 -1.57 0.00 0.00 175.55 173.43 2gsb s PHE 57 N 1.57 2.64 -0.21 2.71 5.36 -1.26 -2.21 117.98 126.57 2gsb s PHE 57 Ca 0.03 -0.25 -0.07 0.00 -0.96 0.00 0.00 56.93 55.68 2gsb s PHE 57 Cb -0.14 -1.62 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 2gsb s PHE 57 CO -0.09 0.12 0.07 0.50 -1.46 0.00 0.00 175.22 174.35 2gsb s ARG 58 N -0.63 3.83 0.15 10.12 6.06 -0.25 0.31 118.95 138.54 2gsb s ARG 58 Ca 0.09 -0.41 0.05 0.00 -2.50 0.00 0.00 55.73 52.97 2gsb s ARG 58 Cb -0.11 -3.27 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 2gsb s ARG 58 CO 0.01 0.05 -0.11 0.95 -2.50 0.00 0.00 175.30 173.70 2gsb s THR 59 N 0.97 1.26 0.56 4.11 -4.23 -1.25 -2.48 115.64 114.58 2gsb s THR 59 Ca 0.04 -1.99 0.27 0.00 -1.18 0.00 0.00 61.69 58.83 2gsb s THR 59 Cb -0.14 -1.78 0.39 0.00 1.34 0.00 0.00 72.50 72.31 2gsb s THR 59 CO 0.03 -0.65 1.98 -0.55 -0.54 0.00 0.00 174.62 174.88 2gsb h ASN 60 N 2.94 0.00 0.04 3.99 7.08 -1.98 -2.87 115.58 124.77 2gsb h ASN 60 Ca -0.37 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.84 2gsb h ASN 60 Cb 1.20 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.44 2gsb h ASN 60 CO 0.60 0.00 -0.02 -0.08 -2.08 0.00 0.00 177.43 175.85 2gsb h GLU 61 N 0.00 -0.05 -1.66 4.14 4.81 -2.02 -3.50 114.58 116.31 2gsb h GLU 61 Ca 0.22 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.60 2gsb h GLU 61 Cb 1.00 0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.19 2gsb h GLU 61 CO -0.00 -0.03 0.64 0.54 -0.73 0.00 0.00 179.01 179.42 2gsb s ASN 62 N -4.30 -0.28 0.08 1.04 2.20 -1.08 -5.13 114.94 107.47 2gsb s ASN 62 Ca -0.01 0.18 -0.31 0.00 -0.94 0.00 0.00 52.86 51.79 2gsb s ASN 62 Cb 0.00 0.26 -0.10 0.00 -2.00 0.00 0.00 41.25 39.41 2gsb s ASN 62 CO 0.02 -0.35 1.88 -0.63 -2.94 0.00 0.00 177.10 175.09 2gsb s ILE 63 N -1.85 2.77 0.48 0.54 1.01 -1.26 -3.81 121.20 119.07 2gsb s ILE 63 Ca 0.03 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 2gsb s ILE 63 Cb -0.01 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.54 2gsb s ILE 63 CO -0.03 -0.00 0.46 0.00 0.00 0.00 0.00 174.94 175.37 2gsb n GLN 64 N 6.53 -1.59 -3.30 2.79 1.13 0.15 -4.93 117.38 118.15 2gsb n GLN 64 Ca 0.19 -0.74 0.03 0.00 -1.94 0.00 0.00 57.00 54.54 2gsb n GLN 64 Cb 0.40 -0.64 -0.02 0.00 0.11 0.00 0.00 30.24 30.08 2gsb n GLN 64 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2gsb s ARG 65 N -4.04 0.39 0.44 -1.09 3.52 -1.26 -4.26 118.95 112.65 2gsb s ARG 65 Ca 0.29 0.83 0.04 0.00 -0.13 0.00 0.00 55.73 56.76 2gsb s ARG 65 Cb -0.02 0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 33.79 2gsb s ARG 65 CO 0.22 -0.30 0.01 -0.06 -0.81 0.00 0.00 175.30 174.36 2gsb s PHE 66 N 2.78 2.22 0.04 5.12 0.08 -1.02 -5.03 117.98 122.17 2gsb s PHE 66 Ca 0.04 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.31 2gsb s PHE 66 Cb -0.11 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2gsb s PHE 66 CO -0.17 0.32 -0.10 0.21 -0.10 0.00 0.00 175.22 175.38 2gsb s LYS 67 N -3.78 0.66 -0.12 0.44 2.20 -1.26 -3.46 119.74 114.42 2gsb s LYS 67 Ca 0.24 -0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2gsb s LYS 67 Cb 0.06 -0.56 0.03 0.00 -1.51 0.00 0.00 37.83 35.86 2gsb s LYS 67 CO 0.12 0.13 -0.02 0.42 -0.36 0.00 0.00 175.35 175.64 2gsb s ILE 68 N -1.08 0.68 -0.07 5.43 1.01 -0.22 -3.72 121.20 123.23 2gsb s ILE 68 Ca -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2gsb s ILE 68 Cb -0.08 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2gsb s ILE 68 CO 0.01 0.19 -0.02 0.00 0.00 0.00 0.00 174.94 175.11 2gsb s PRO 70 N -0.95 2.14 0.08 0.00 0.04 -1.26 -0.59 135.00 134.47 2gsb s PRO 70 Ca 0.14 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.37 2gsb s PRO 70 Cb -0.11 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2gsb s PRO 70 CO 0.03 -1.71 -0.16 0.95 0.04 0.00 0.00 177.00 176.14 2gsb s THR 71 N -2.91 1.32 -2.00 1.26 -4.23 -0.81 -4.77 115.64 103.50 2gsb s THR 71 Ca 0.61 -1.40 0.14 0.00 -1.18 0.00 0.00 61.69 59.87 2gsb s THR 71 Cb -0.17 -1.25 0.41 0.00 1.34 0.00 0.00 72.50 72.83 2gsb s THR 71 CO 0.56 -0.18 1.27 -0.81 -0.54 0.00 0.00 174.62 174.93 2gsb n PRO 72 N 1.19 0.48 -2.08 3.99 -0.04 -1.26 -3.09 135.00 134.19 2gsb n PRO 72 Ca -0.20 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 2gsb n PRO 72 Cb 0.54 -1.46 0.02 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 -0.96 5.77 -4.25 3.54 5.03 -1.26 -4.92 115.26 118.21 2gsb n ASN 73 Ca 0.11 -3.76 -0.31 0.00 0.87 0.00 0.00 54.58 51.49 2gsb n ASN 73 Cb 0.05 -0.62 -0.09 0.00 -1.02 0.00 0.00 39.78 38.09 2gsb n ASN 73 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2gsb n ASN 74 N -0.62 0.54 -3.34 6.41 4.13 -1.18 -4.90 115.26 116.31 2gsb n ASN 74 Ca 0.47 -1.21 -0.19 0.00 1.68 0.00 0.00 54.58 55.33 2gsb n ASN 74 Cb 0.66 -1.51 -0.08 0.00 -1.54 0.00 0.00 39.78 37.31 2gsb n ASN 74 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2gsb s GLN 75 N -7.13 1.77 -0.01 3.52 -0.21 -1.25 -4.84 119.66 111.52 2gsb s GLN 75 Ca 0.11 -2.00 0.04 0.00 0.02 0.00 0.00 55.36 53.53 2gsb s GLN 75 Cb -0.06 0.34 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 2gsb s GLN 75 CO 0.95 -0.66 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.27 2gsb s PHE 76 N -3.40 1.16 -0.22 0.91 0.40 -0.68 -1.93 117.98 114.21 2gsb s PHE 76 Ca 0.40 -0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2gsb s PHE 76 Cb 0.02 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 2gsb s PHE 76 CO 0.27 -0.03 -0.04 -1.64 0.70 0.00 0.00 175.22 174.48 2gsb s MET 77 N -0.25 3.35 -0.65 0.44 -1.94 0.24 -1.98 119.30 118.53 2gsb s MET 77 Ca 0.04 -0.64 0.03 0.00 -1.71 0.00 0.00 55.69 53.41 2gsb s MET 77 Cb -0.06 -3.02 0.16 0.00 2.01 0.00 0.00 34.83 33.92 2gsb s MET 77 CO -0.00 -0.21 0.43 1.41 -0.01 0.00 0.00 175.02 176.64 2gsb s MET 78 N 1.48 2.38 0.00 2.03 0.00 -1.23 -0.86 119.30 123.10 2gsb s MET 78 Ca 0.06 -2.97 0.00 0.00 0.00 0.00 0.00 55.69 52.77 2gsb s MET 78 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 34.83 31.21 2gsb s MET 78 CO -0.03 -1.20 0.00 0.41 0.00 0.00 0.00 175.02 174.20 2gsb n GLY 79 N 2.62 2.15 1.38 2.11 0.00 -1.24 -4.22 105.19 107.98 2gsb n GLY 79 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 3.27 -0.02 0.00 -1.26 -5.15 105.19 102.27 2gsb n GLY 80 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 0.03 1.46 -0.06 1.61 3.00 -1.26 -5.16 118.95 118.57 2gsb s ARG 81 Ca 0.02 -1.81 0.04 0.00 0.00 0.00 0.00 55.73 53.98 2gsb s ARG 81 Cb 0.11 0.10 0.00 0.00 0.00 0.00 0.00 34.95 35.16 2gsb s ARG 81 CO -0.03 -0.45 -0.17 0.71 0.00 0.00 0.00 175.30 175.36 2gsb s TYR 82 N -3.80 1.79 -0.01 -0.53 2.02 -1.26 -3.56 117.35 112.01 2gsb s TYR 82 Ca 0.38 -0.59 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2gsb s TYR 82 Cb 0.06 -1.23 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 2gsb s TYR 82 CO 0.17 -0.23 -0.07 0.71 -1.57 0.00 0.00 175.55 174.56 2gsb s TYR 83 N 0.24 0.66 0.11 2.71 2.02 -0.84 -4.98 117.35 117.27 2gsb s TYR 83 Ca -0.09 -0.13 -0.31 0.00 -0.37 0.00 0.00 57.07 56.17 2gsb s TYR 83 Cb -0.14 -0.45 -0.11 0.00 -0.40 0.00 0.00 41.96 40.86 2gsb s TYR 83 CO 0.04 -0.03 1.60 -0.97 -1.57 0.00 0.00 175.55 174.61 2gsb h ASN 84 N 6.10 -1.12 -4.03 2.29 -0.73 -1.88 -1.81 115.58 114.40 2gsb h ASN 84 Ca -0.30 0.11 -0.18 0.00 1.87 0.00 0.00 56.30 57.80 2gsb h ASN 84 Cb 1.18 0.40 -0.25 0.00 0.27 0.00 0.00 38.32 39.92 2gsb h ASN 84 CO 0.50 -0.50 -0.55 -0.55 -0.37 0.00 0.00 177.43 175.97 2gsb s SER 85 N -4.65 -0.11 0.13 1.15 0.15 -1.26 -4.47 113.70 104.63 2gsb s SER 85 Ca -0.16 0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 2gsb s SER 85 Cb 0.07 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 2gsb s SER 85 CO 0.63 -0.11 1.08 -0.38 1.20 0.00 0.00 173.24 175.66 2gsb n ILE 86 N 2.69 -0.45 -0.27 6.45 5.41 -1.26 0.26 119.36 132.19 2gsb n ILE 86 Ca -0.15 1.68 0.01 0.00 1.00 0.00 0.00 62.75 65.30 2gsb n ILE 86 Cb 0.58 -2.12 0.05 0.00 -0.71 0.00 0.00 39.64 37.44 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 -1.22 -1.42 0.19 7.39 0.00 -1.26 0.84 105.19 109.71 2gsb n GLY 87 Ca 0.03 0.80 -0.08 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.46 -1.38 1.61 3.58 -0.61 -1.17 116.42 117.99 2gsb h ASP 88 Ca 0.28 0.09 0.46 0.00 0.42 0.00 0.00 57.03 58.29 2gsb h ASP 88 Cb 0.46 0.23 -0.13 0.00 1.72 0.00 0.00 39.33 41.61 2gsb h ASP 88 CO -0.73 -0.18 0.90 0.40 -2.88 0.00 0.00 179.24 176.74 2gsb h ILE 89 N -0.15 0.06 -0.11 2.25 2.04 0.50 0.74 117.51 122.85 2gsb h ILE 89 Ca 0.11 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 2gsb h ILE 89 Cb 0.31 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2gsb h ILE 89 CO -0.27 0.01 -0.13 0.40 0.00 0.00 0.00 178.15 178.16 2gsb h ILE 90 N 0.04 1.37 0.00 -0.67 5.03 -1.05 -1.62 117.51 120.62 2gsb h ILE 90 Ca 0.86 -1.32 -0.02 0.00 -0.12 0.00 0.00 64.86 64.25 2gsb h ILE 90 Cb 2.76 2.00 -0.00 0.00 -3.03 0.00 0.00 36.82 38.55 2gsb h ILE 90 CO -0.42 0.38 -0.10 0.44 -0.68 0.00 0.00 178.15 177.77 2gsb h ASP 91 N -0.14 0.00 0.13 1.72 5.19 0.53 -2.24 116.42 121.61 2gsb h ASP 91 Ca 0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2gsb h ASP 91 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 2gsb h ASP 91 CO 0.03 0.10 -0.06 -0.74 -3.12 0.00 0.00 179.24 175.44 2gsb h HIS 92 N 0.00 -0.17 -1.00 4.55 2.76 -0.98 -3.31 115.15 117.00 2gsb h HIS 92 Ca -0.00 -0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.40 2gsb h HIS 92 Cb 0.18 0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.10 2gsb h HIS 92 CO 0.00 0.17 0.63 1.88 -1.30 0.00 0.00 177.93 179.31 2gsb h TYR 93 N -0.98 0.82 -1.02 5.26 0.05 -1.19 0.30 116.97 120.21 2gsb h TYR 93 Ca -0.02 0.03 0.29 0.00 0.05 0.00 0.00 58.73 59.08 2gsb h TYR 93 Cb 0.41 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2gsb h TYR 93 CO 0.07 0.12 0.73 0.00 -1.05 0.00 0.00 178.16 178.03 2gsb h ARG 94 N 0.53 0.03 0.00 4.88 3.08 -1.49 0.76 114.38 122.17 2gsb h ARG 94 Ca 0.58 -0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.31 2gsb h ARG 94 Cb 1.24 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.22 2gsb h ARG 94 CO -0.33 0.02 -2.20 1.63 -1.07 0.00 0.00 179.97 178.01 2gsb n LYS 95 N -4.26 0.68 -3.88 0.04 5.02 0.94 -4.78 118.16 111.93 2gsb n LYS 95 Ca 0.22 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 56.18 2gsb n LYS 95 Cb 1.06 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.61 2.99 -0.29 1.97 0.41 0.26 -5.05 118.70 116.38 2gsb s GLU 96 Ca -0.09 -0.90 -0.37 0.00 -0.41 0.00 0.00 54.97 53.21 2gsb s GLU 96 Cb 0.07 -3.14 -0.13 0.00 -1.78 0.00 0.00 34.13 29.16 2gsb s GLU 96 CO 0.83 -0.40 2.00 0.00 -0.49 0.00 0.00 175.26 177.21 2gsb n GLN 97 N 4.76 1.28 0.26 1.61 10.64 -1.25 -4.39 117.38 130.28 2gsb n GLN 97 Ca -0.16 0.42 0.17 0.00 -1.83 0.00 0.00 57.00 55.60 2gsb n GLN 97 Cb 0.48 -2.37 0.75 0.00 -0.86 0.00 0.00 30.24 28.24 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 6.25 0.00 -1.88 -0.39 2.10 -1.62 -3.45 117.51 118.52 2gsb h ILE 98 Ca -0.36 -0.35 -0.58 0.00 1.08 0.00 0.00 64.86 64.64 2gsb h ILE 98 Cb 1.31 1.29 -0.13 0.00 -1.09 0.00 0.00 36.82 38.20 2gsb h ILE 98 CO 0.99 0.00 -0.56 -0.69 -1.08 0.00 0.00 178.15 176.81 2gsb s VAL 99 N -3.70 1.18 0.33 2.19 1.01 -1.24 -4.99 120.40 115.17 2gsb s VAL 99 Ca 0.00 -2.00 0.23 0.00 0.00 0.00 0.00 61.98 60.22 2gsb s VAL 99 Cb 0.10 -2.54 0.36 0.00 0.00 0.00 0.00 36.38 34.30 2gsb s VAL 99 CO 0.48 0.00 1.19 -1.84 0.00 0.00 0.00 175.10 174.93 2gsb n GLU 100 N -0.96 -0.03 -2.68 2.72 0.28 -1.26 -3.30 120.64 115.41 2gsb n GLU 100 Ca -0.08 0.97 -0.05 0.00 -0.16 0.00 0.00 57.16 57.84 2gsb n GLU 100 Cb 0.66 -1.88 0.11 0.00 1.43 0.00 0.00 31.44 31.76 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 -1.36 -0.85 3.02 -1.84 0.00 -1.26 -5.07 105.19 97.83 2gsb n GLY 101 Ca 0.30 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.81 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 0.11 -0.04 0.07 1.61 1.51 -1.21 -5.08 117.35 114.33 2gsb s TYR 102 Ca 0.21 0.10 0.10 0.00 -1.01 0.00 0.00 57.07 56.46 2gsb s TYR 102 Cb 0.29 -0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 42.10 2gsb s TYR 102 CO -0.16 -0.14 -0.26 0.71 -1.11 0.00 0.00 175.55 174.60 2gsb s TYR 103 N -0.49 2.25 -0.43 2.71 2.02 -1.26 -2.00 117.35 120.14 2gsb s TYR 103 Ca -0.06 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 55.96 2gsb s TYR 103 Cb -0.04 -1.31 -0.00 0.00 -0.40 0.00 0.00 41.96 40.22 2gsb s TYR 103 CO 0.00 0.18 1.58 -0.51 -1.57 0.00 0.00 175.55 175.24 2gsb s LEU 104 N -1.48 3.50 -0.03 -1.29 1.43 -1.26 -4.85 118.68 114.70 2gsb s LEU 104 Ca 0.12 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.07 2gsb s LEU 104 Cb -0.10 -3.36 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 2gsb s LEU 104 CO 0.03 -1.66 -0.01 0.11 0.23 0.00 0.00 176.35 175.05 2gsb h LYS 105 N 11.89 0.00 -3.01 1.70 1.79 -1.94 -3.44 116.57 123.56 2gsb h LYS 105 Ca -0.29 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.02 2gsb h LYS 105 Cb 1.13 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.52 2gsb h LYS 105 CO 1.09 0.00 -0.39 -1.83 -1.08 0.00 0.00 179.45 177.24 2gsb s GLU 106 N -1.21 0.32 1.11 3.15 -1.05 -1.16 -5.09 118.70 114.77 2gsb s GLU 106 Ca -0.01 0.44 -0.16 0.00 -0.15 0.00 0.00 54.97 55.09 2gsb s GLU 106 Cb 0.00 0.11 0.24 0.00 -0.44 0.00 0.00 34.13 34.04 2gsb s GLU 106 CO 0.02 -0.07 1.10 -1.25 0.95 0.00 0.00 175.26 176.01 2gsb s PRO 107 N 0.41 -0.51 -0.03 -4.83 0.04 -1.26 -3.59 135.00 125.23 2gsb s PRO 107 Ca -0.02 0.19 -0.27 0.00 0.04 0.00 0.00 61.00 60.94 2gsb s PRO 107 Cb -0.04 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2gsb s PRO 107 CO -0.02 -3.29 0.87 0.08 0.04 0.00 0.00 177.00 174.68 2gsb s VAL 108 N -2.99 4.94 0.45 -0.36 1.01 -0.22 -4.76 120.40 118.48 2gsb s VAL 108 Ca 0.68 1.81 -0.23 0.00 0.00 0.00 0.00 61.98 64.24 2gsb s VAL 108 Cb -0.14 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 2gsb s VAL 108 CO 0.57 0.19 1.17 -2.16 0.00 0.00 0.00 175.10 174.87 2gsb s PRO 109 N 0.96 3.78 0.33 2.72 0.04 -1.26 -4.41 135.00 137.15 2gsb s PRO 109 Ca 0.46 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 2gsb s PRO 109 Cb -0.20 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 2gsb s PRO 109 CO 0.24 -0.53 0.59 0.00 0.04 0.00 0.00 177.00 177.34 2gsb s MET 110 N -2.66 3.60 -0.01 4.56 0.23 -1.26 -5.04 119.30 118.71 2gsb s MET 110 Ca 0.63 -0.02 -0.22 0.00 -1.03 0.00 0.00 55.69 55.05 2gsb s MET 110 Cb -0.29 -2.60 -0.05 0.00 -1.53 0.00 0.00 34.83 30.36 2gsb s MET 110 CO 0.35 0.13 0.65 -0.65 -2.03 0.00 0.00 175.02 173.47 2gsb s GLN 111 N -3.87 4.38 -0.32 3.16 -1.52 -1.26 -4.96 119.66 115.27 2gsb s GLN 111 Ca 0.44 0.82 -0.01 0.00 -1.95 0.00 0.00 55.36 54.66 2gsb s GLN 111 Cb -0.10 -3.37 0.23 0.00 -0.22 0.00 0.00 33.01 29.54 2gsb s GLN 111 CO 0.33 0.27 1.97 -3.47 -0.25 0.00 0.00 175.29 174.14 2gsb n ASP 112 N 3.02 6.22 -2.20 5.90 2.03 -1.26 -4.42 116.55 125.84 2gsb n ASP 112 Ca -0.05 -3.06 -0.31 0.00 0.52 0.00 0.00 54.79 51.89 2gsb n ASP 112 Cb 0.51 -1.02 0.07 0.00 -0.72 0.00 0.00 41.12 39.96 2gsb n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gsb n GLN 113 N 0.25 2.96 -1.64 -0.67 10.64 -1.26 -5.03 117.38 122.63 2gsb n GLN 113 Ca 0.31 -3.57 -0.56 0.00 -1.83 0.00 0.00 57.00 51.36 2gsb n GLN 113 Cb 0.63 -2.27 -0.07 0.00 -0.86 0.00 0.00 30.24 27.66 2gsb n GLN 113 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2gsb n SER 114 N -0.86 1.73 0.00 2.61 2.88 -1.26 -4.86 113.62 113.86 2gsb n SER 114 Ca 0.56 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 59.21 2gsb n SER 114 Cb 0.79 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 3.13 4.10 3.57 0.46 0.00 -1.26 -5.08 105.19 110.11 2gsb n GLY 115 Ca 0.22 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.46 3.00 -0.76 1.61 0.04 -1.26 -4.94 135.00 130.23 2gsb s PRO 116 Ca 0.00 0.94 -0.26 0.00 0.04 0.00 0.00 61.00 61.72 2gsb s PRO 116 Cb 0.00 -4.27 0.04 0.00 0.04 0.00 0.00 34.50 30.30 2gsb s PRO 116 CO 0.00 -2.27 1.26 0.45 0.04 0.00 0.00 177.00 176.47 2gsb s SER 117 N 6.86 6.20 0.15 6.66 0.15 -1.26 -4.88 113.70 127.58 2gsb s SER 117 Ca 0.71 -0.62 -0.17 0.00 0.70 0.00 0.00 55.95 56.58 2gsb s SER 117 Cb -0.16 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 2gsb s SER 117 CO 0.27 -1.76 1.81 0.77 1.20 0.00 0.00 173.24 175.53 2gsb h SER 118 N 9.94 0.44 0.00 5.45 4.64 -2.06 -3.57 113.55 128.40 2gsb h SER 118 Ca -0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2gsb h SER 118 Cb 1.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2gsb h SER 118 CO 1.28 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 178.17